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

Systemtic Name: 2-methyl-4-oxidanylidene-N-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-isopropoxybenzyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C20H24N2O4S2/c1-13(2)26-16-6-4-15(5-7-16)12-21-28(24,25)17-8-9-19-18(11-17)22-20(23)10-14(3)27-19/h4-9,11,13-14,21H,10,12H2,1-3H3,(H,22,23)