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

Systemtic Name: 2-methyl-4-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C24H32N4O3S2 MolecularWeight: 488.66588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S2/c1-19-16-24(29)26-22-17-21(8-9-23(22)32-19)33(30,31)25-10-5-11-27-12-14-28(15-13-27)18-20-6-3-2-4-7-20/h2-4,6-9,17,19,25H,5,10-16,18H2,1H3,(H,26,29)