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

Systemtic Name: (4-methoxyphenyl) 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: (4-methoxyphenyl) 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-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 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-methoxyphenyl) ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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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)OC

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)OC

InChI

InChI=1S/C22H25N3O8S/c1-16-3-4-17(25(28)29)15-20(16)34(30,31)24-13-11-23(12-14-24)21(26)9-10-22(27)33-19-7-5-18(32-2)6-8-19/h3-8,15H,9-14H2,1-2H3