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

Systemtic Name: 2-methyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCCN(C)CC3=CC=CC=C3

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCCN(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-16-13-21(25)23-19-14-18(9-10-20(19)28-16)29(26,27)22-11-6-12-24(2)15-17-7-4-3-5-8-17/h3-5,7-10,14,16,22H,6,11-13,15H2,1-2H3,(H,23,25)