methyl 2-(2-chlorophenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]acetic acid methyl ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C20H22ClN3O6S/c1-14-7-8-15(24(26)27)13-18(14)31(28,29)23-11-9-22(10-12-23)19(20(25)30-2)16-5-3-4-6-17(16)21/h3-8,13,19H,9-12H2,1-2H3