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

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-(N-ethylanilino)propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[3-(N-ethylanilino)propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-(N-ethylanilino)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:

CCN(CCCNS(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCNS(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-3-24(17-8-5-4-6-9-17)13-7-12-22-29(26,27)18-10-11-20-19(15-18)23-21(25)14-16(2)28-20/h4-6,8-11,15-16,22H,3,7,12-14H2,1-2H3,(H,23,25)