(4-nitrophenyl)methyl 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O7S/c22-17-3-7-19(8-4-17)33(30,31)24-13-11-23(12-14-24)20(26)9-10-21(27)32-15-16-1-5-18(6-2-16)25(28)29/h1-8H,9-15H2