N-[(4-dimethylaminophenyl)methyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[4-(dimethylamino)benzyl]-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)N(C)C)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)N(C)C)NC1=O

InChI

InChI=1S/C19H23N3O3S2/c1-13-12-26-18-9-8-16(10-17(18)21-19(13)23)27(24,25)20-11-14-4-6-15(7-5-14)22(2)3/h4-10,13,20H,11-12H2,1-3H3,(H,21,23)