2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazinyl]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazino]-1-(3,4-dimethoxyphenyl)ethanone Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC)OC

InChI

InChI=1S/C21H25ClN2O6S/c1-28-18-6-4-15(12-20(18)30-3)17(25)14-23-8-10-24(11-9-23)31(26,27)21-13-16(22)5-7-19(21)29-2/h4-7,12-13H,8-11,14H2,1-3H3