methyl 2-(4-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]acetic acid methyl ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)OC

InChI

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