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

Systemtic Name: (3-nitrophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (3-nitrophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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