N-cyclopropyl-3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]benzenesulfonamide

Systemtic Name: N-cyclopropyl-3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]benzenesulfonamide Openeye Name: N-cyclopropyl-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzenesulfonamide CAS Name: N-cyclopropyl-3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzenesulfonamide Traditional Name: N-cyclopropyl-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzenesulfonamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C20H22N2O3S2/c1-14-11-12-22(18-7-2-3-8-19(18)26-14)20(23)15-5-4-6-17(13-15)27(24,25)21-16-9-10-16/h2-8,13-14,16,21H,9-12H2,1H3