[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O7S/c1-14-17(3-2-4-18(14)24(27)28)20(26)31-13-19(25)22-9-11-23(12-10-22)32(29,30)16-7-5-15(21)6-8-16/h2-8H,9-13H2,1H3