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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid methyl ester Formula: C20H21ClN3O4S+ MolecularWeight: 434.91644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20ClN3O4S/c1-28-20(25)19(17-7-2-3-8-18(17)21)23-9-11-24(12-10-23)29(26,27)16-6-4-5-15(13-16)14-22/h2-8,13,19H,9-12H2,1H3/p+1/t19-/m1/s1