4-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phenyl]sulfonylpiperazin-2-one

Systemtic Name: 4-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phenyl]sulfonylpiperazin-2-one Openeye Name: 4-[3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-2-one CAS Name: 4-[3-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-2-one Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H21N3O4S2/c24-19-14-22(11-9-21-19)29(26,27)16-6-3-5-15(13-16)20(25)23-10-4-12-28-18-8-2-1-7-17(18)23/h1-3,5-8,13H,4,9-12,14H2,(H,21,24)