N-cyclohexyl-2-methyl-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-cyclohexyl-2-methyl-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-cyclohexyl-2-methyl-4-oxo-N-(2-thienylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-cyclohexyl-2-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-cyclohexyl-2-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-cyclohexyl-4-keto-2-methyl-N-(2-thenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H26N2O3S3 MolecularWeight: 450.63774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CS3)C4CCCCC4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C21H26N2O3S3/c1-15-12-21(24)22-19-13-18(9-10-20(19)28-15)29(25,26)23(14-17-8-5-11-27-17)16-6-3-2-4-7-16/h5,8-11,13,15-16H,2-4,6-7,12,14H2,1H3,(H,22,24)