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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-nosylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C19H21ClN3O6S+ MolecularWeight: 454.90454

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O6S/c1-29-19(24)18(16-4-2-3-5-17(16)20)21-10-12-22(13-11-21)30(27,28)15-8-6-14(7-9-15)23(25)26/h2-9,18H,10-13H2,1H3/p+1/t18-/m1/s1