58792537 -OEChem-03282413372D 43 45 0 0 0 0 0 0 0999 V2000 3.7320 0.4325 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.7628 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -2.4335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 0.1645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.3722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.5675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -3.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5910 -3.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4379 -3.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6648 -2.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 3.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 8 2 0 0 0 0 3 9 2 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 5 42 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 43 1 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 23 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 27 1 0 0 0 0 24 32 1 0 0 0 0 25 28 2 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 28 37 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 M END > 58792537 > 1 > 768 > 12 > 3 > 7 > AAADccBzPABwAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHAQQTAAADAiBXgCywbJIEIqkAyRiRHDD8OBhCjgImDwwZJgIIKLgkZGEIAxgkADoyAcQgAAOCAAAgCAEAwAQAAEAQAgGAAAAAAAAAA== > 2-[4-(methanesulfonamido)-3-(trioxidanylsulfanyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid > 2-[4-(methanesulfonamido)-3-(trioxidanylthio)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid > 2-[4-(methanesulfonamido)-3-(trioxidanylsulfanyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid > 2-[4-(methanesulfonamido)-3-(trioxidanylsulfanyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid > 6-methyl-2-[4-(methylsulfonylamino)-3-(trioxidanylsulfanyl)phenyl]-1,3-benzothiazole-7-sulfonic acid > 2-[4-(methanesulfonamido)-3-(trioxidanylthio)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid > InChI=1S/C15H14N2O8S4/c1-8-3-5-11-13(14(8)29(21,22)23)26-15(16-11)9-4-6-10(17-28(2,19)20)12(7-9)27-25-24-18/h3-7,17-18H,1-2H3,(H,21,22,23) > QAMWPVRLBKOFRS-UHFFFAOYSA-N > 1.8 > 477.96330010 > C15H14N2O8S4 > 478.5 > CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)NS(=O)(=O)C)SOOO)S(=O)(=O)O > CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)NS(=O)(=O)C)SOOO)S(=O)(=O)O > 222 > 477.96330010 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 17 8 13 19 8 15 16 8 15 17 8 16 18 8 17 21 8 18 22 8 2 15 8 2 19 8 20 24 8 20 25 8 21 22 8 23 27 8 23 28 8 24 27 8 25 28 8 $$$$