(4-nitrophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-nitrophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (4-nitrobenzyl) ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6S/c28-24(33-18-19-9-11-22(12-10-19)27(29)30)20-5-4-8-23(17-20)34(31,32)26-15-13-25(14-16-26)21-6-2-1-3-7-21/h1-12,17H,13-16,18H2