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

Systemtic Name: (4-chlorophenyl) 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: (4-chlorophenyl) 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butyric acid (4-chlorophenyl) ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O7S/c1-15-2-5-17(25(28)29)14-19(15)33(30,31)24-12-10-23(11-13-24)20(26)8-9-21(27)32-18-6-3-16(22)4-7-18/h2-7,14H,8-13H2,1H3