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

Systemtic Name: 4-oxidanylidene-N-[3-(4-phenylpiperazin-1-yl)propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 4-oxo-N-[3-(4-phenyl-1-piperazinyl)propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-[3-(4-phenylpiperazino)propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCCN3CCN(CC3)C4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCCN3CCN(CC3)C4=CC=CC=C4)NC1=O

InChI

InChI=1S/C22H28N4O3S2/c27-22-9-16-30-21-8-7-19(17-20(21)24-22)31(28,29)23-10-4-11-25-12-14-26(15-13-25)18-5-2-1-3-6-18/h1-3,5-8,17,23H,4,9-16H2,(H,24,27)