49828740 -OEChem-04252421122D 61 63 0 0 0 0 0 0 0999 V2000 9.4640 1.9104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 2.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2884 3.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3595 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5685 0.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3553 0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5463 -4.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 3.9194 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8872 2.5104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7373 0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 2.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 4.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 4.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 2.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3049 3.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8817 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4695 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4585 2.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0463 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0463 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5463 -0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6341 2.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5463 -1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4123 -1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 -1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4123 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5463 -3.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 -4.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1293 4.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0989 2.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4231 3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 4.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 4.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 4.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5462 4.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 1.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 4.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 3.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 2.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 2.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8566 3.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 3.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 1.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 1.5341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6404 1.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0158 2.2867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2876 2.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1357 1.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9985 2.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1325 2.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 -1.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1434 -1.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 -3.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1434 -3.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3703 -4.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1434 -5.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9903 -5.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 18 2 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 47 1 0 0 0 0 10 21 1 0 0 0 0 10 23 2 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M CHG 1 8 1 M END > 49828740 > 1 > 657 > 7 > 2 > 10 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgQQAAAADAzl3gayhpPIFEqoA6VyVHTCiCAvYDAImKG/TNgOJrLk9TuPOSjk1hH4qYeY/C7OIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 2-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide > 2-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methylsulfonyl]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide > 2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide > 2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide > 2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide > 2-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide > InChI=1S/C21H29N3O6S/c1-16-19(23-21(30-16)17-4-6-18(28-2)7-5-17)14-31(26,27)15-20(25)22-8-3-9-24-10-12-29-13-11-24/h4-7H,3,8-15H2,1-2H3,(H,22,25)/p+1 > UXWQFMBPCFDJFB-UHFFFAOYSA-O > 0.9 > 452.18553186 > C21H30N3O6S+ > 452.5 > CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)(=O)CC(=O)NCCC[NH+]3CCOCC3 > CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)(=O)CC(=O)NCCC[NH+]3CCOCC3 > 121 > 452.18553186 > 1 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 21 8 10 23 8 21 22 8 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 6 22 8 6 23 8 $$$$