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

Systemtic Name: 2-methyl-4-oxidanylidene-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-[3-(1-pyrrolidinylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-[3-(pyrrolidinomethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)CN4CCCC4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)CN4CCCC4

InChI

InChI=1S/C21H25N3O3S2/c1-15-11-21(25)22-19-13-18(7-8-20(19)28-15)29(26,27)23-17-6-4-5-16(12-17)14-24-9-2-3-10-24/h4-8,12-13,15,23H,2-3,9-11,14H2,1H3,(H,22,25)