ethyl 2-(4-chlorophenyl)-2-[4-(2-methylsulfonylphenyl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-(4-chlorophenyl)-2-[4-(2-methylsulfonylphenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-(4-chlorophenyl)-2-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(2-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-2-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(2-mesylbenzoyl)piperazino]acetic acid ethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H25ClN2O5S/c1-3-30-22(27)20(16-8-10-17(23)11-9-16)24-12-14-25(15-13-24)21(26)18-6-4-5-7-19(18)31(2,28)29/h4-11,20H,3,12-15H2,1-2H3