[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C25H23N3O7S MolecularWeight: 509.53102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O7S/c29-24(19-9-11-22(12-10-19)28(31)32)18-35-25(30)20-5-4-8-23(17-20)36(33,34)27-15-13-26(14-16-27)21-6-2-1-3-7-21/h1-12,17H,13-16,18H2