methyl 2-(2-chlorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-benzylsulfonylpiperazin-1-yl)-2-(2-chlorophenyl)acetate CAS Name: 2-(2-chlorophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfonylpiperazin-1-yl)-2-(2-chlorophenyl)acetate Traditional Name: 2-(4-benzylsulfonylpiperazino)-2-(2-chlorophenyl)acetic acid methyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23ClN2O4S/c1-27-20(24)19(17-9-5-6-10-18(17)21)22-11-13-23(14-12-22)28(25,26)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3