methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid methyl ester Formula: C20H23ClN3O6S+ MolecularWeight: 468.93112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O6S/c1-14-7-8-15(13-18(14)24(26)27)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/p+1/t19-/m1/s1