1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(3-chlorophenyl)sulfonylpiperazino]ethanone Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-15(25)16-6-7-20(29-2)17(12-16)13-21(26)23-8-10-24(11-9-23)30(27,28)19-5-3-4-18(22)14-19/h3-7,12,14H,8-11,13H2,1-2H3