7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(3-chlorophenyl)piperazino]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=O

InChI

InChI=1S/C20H22ClN3O3S2/c1-14-13-28-19-6-5-17(12-18(19)22-20(14)25)29(26,27)24-9-7-23(8-10-24)16-4-2-3-15(21)11-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,25)