methyl 2-(2-chlorophenyl)-2-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]acetic acid methyl ester Formula: C20H22ClFN2O5S MolecularWeight: 456.915483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)F

InChI

InChI=1S/C20H22ClFN2O5S/c1-28-18-8-7-14(13-17(18)22)30(26,27)24-11-9-23(10-12-24)19(20(25)29-2)15-5-3-4-6-16(15)21/h3-8,13,19H,9-12H2,1-2H3