24855274 -OEChem-04262410232D 67 69 0 1 0 0 0 0 0999 V2000 4.2208 3.0265 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 1.4387 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 -2.8441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3336 -2.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 3.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 3.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.0265 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2611 -0.7737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.3213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -2.4373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 -2.1009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2121 -1.0827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9553 -0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 5.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5868 3.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 -2.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 -0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7474 0.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2509 -3.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7509 -2.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 -4.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -3.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 -5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -4.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 0.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 -0.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3656 -0.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2629 4.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 5.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 5.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 5.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2768 5.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0499 3.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8968 3.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 3.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1322 -0.1672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 5.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 3.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7147 -1.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -0.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0979 -0.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3538 0.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 1.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1409 0.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -2.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -5.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -3.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9304 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -5.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 -5.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 -4.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -4.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9145 -5.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 -0.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0852 -0.0139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 2 34 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 19 1 0 0 0 0 4 28 1 0 0 0 0 7 29 1 0 0 0 0 7 67 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 14 9 1 6 0 0 0 9 27 1 0 0 0 0 9 46 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 65 1 0 0 0 0 11 27 2 0 0 0 0 12 31 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 24 2 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 28 2 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 26 57 1 0 0 0 0 27 31 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 34 2 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 66 1 0 0 0 0 M END > 24855274 > 1 > 774 > 11 > 3 > 10 > AAADcfB7uABgAAAAAAAAAAAAAAAAAWJEgAAAAAAAAAAAAAAB+AAAHgQQSAAADazl2gaz95LABkqsAq5y4HDDCZQlOhABiJePfMiOZnL2vTuXWSzk0BP4uaeY2eOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-tert-butyl-3-hydroxy-4-[[4-[[(1R)-1-(4-isopropyl-2-furyl)-2-methyl-propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N-methyl-thiophene-2-sulfonamide > N-tert-butyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-yl-2-furanyl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-thiophenesulfonamide > N-tert-butyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide > N-tert-butyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide > N-tert-butyl-N-methyl-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-oxidanyl-thiophene-2-sulfonamide > N-tert-butyl-3-hydroxy-4-[[4-[[(1R)-1-(4-isopropyl-2-furyl)-2-methyl-propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N-methyl-thiophene-2-sulfonamide > InChI=1S/C22H33N5O4S3/c1-12(2)14-9-16(31-10-14)17(13(3)4)24-20-19(25-33-26-20)23-15-11-32-21(18(15)28)34(29,30)27(8)22(5,6)7/h9-13,17,28H,1-8H3,(H,23,25)(H,24,26)/t17-/m1/s1 > WMBRHSPVMHSVHN-QGZVFWFLSA-N > 6 > 527.16946807 > C22H33N5O4S3 > 527.7 > CC(C)C1=COC(=C1)C(C(C)C)NC2=NSN=C2NC3=CSC(=C3O)S(=O)(=O)N(C)C(C)(C)C > CC(C)C1=COC(=C1)[C@@H](C(C)C)NC2=NSN=C2NC3=CSC(=C3O)S(=O)(=O)N(C)C(C)(C)C > 185 > 527.16946807 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 27 8 12 31 8 19 24 8 2 25 8 2 34 8 23 24 8 23 28 8 25 29 8 27 31 8 29 30 8 3 11 8 3 12 8 30 34 8 4 19 8 4 28 8 14 9 6 $$$$