2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O4S2/c1-18(27)19-7-9-20(10-8-19)32(29,30)26-14-12-24(13-15-26)23(28)17-25-11-4-16-31-22-6-3-2-5-21(22)25/h2-3,5-10H,4,11-17H2,1H3