(3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-N-[2,3-bis(oxidanyl)propyl]-N,6-dimethyl-5-oxidanylidene-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-sulfonamide

Systemtic Name: (3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-N-[2,3-bis(oxidanyl)propyl]-N,6-dimethyl-5-oxidanylidene-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-sulfonamide Openeye Name: (3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-N-(2,3-dihydroxypropyl)-N,6-dimethyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-sulfonamide CAS Name: (3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-N-(2,3-dihydroxypropyl)-N,6-dimethyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-sulfonamide IUPAC Name: (3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-N-(2,3-dihydroxypropyl)-N,6-dimethyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-sulfonamide Traditional Name: (3aS,6S,6aR)-4-(1,3-benzothiazol-2-yl)-N-glyceryl-5-keto-N,6-dimethyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-sulfonamide Formula: C18H24N4O5S2 MolecularWeight: 440.53696

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCN2S(=O)(=O)N(C)CC(CO)O)N(C1=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1[C@@H]2[C@H](CCN2S(=O)(=O)N(C)CC(CO)O)N(C1=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H24N4O5S2/c1-11-16-14(7-8-21(16)29(26,27)20(2)9-12(24)10-23)22(17(11)25)18-19-13-5-3-4-6-15(13)28-18/h3-6,11-12,14,16,23-24H,7-10H2,1-2H3/t11-,12?,14-,16+/m0/s1