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

Systemtic Name: N-[3-[ethyl-(phenylmethyl)amino]propyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-[benzyl(ethyl)amino]propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[3-[ethyl-(phenylmethyl)amino]propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-[benzyl(ethyl)amino]propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-[benzyl(ethyl)amino]propyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNS(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCN(CCCNS(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-3-25(16-18-8-5-4-6-9-18)13-7-12-23-30(27,28)19-10-11-21-20(15-19)24-22(26)14-17(2)29-21/h4-6,8-11,15,17,23H,3,7,12-14,16H2,1-2H3,(H,24,26)