(phenylmethyl) 4-[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]benzoate

Systemtic Name: (phenylmethyl) 4-[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]benzoate Openeye Name: benzyl 4-[benzyl-(3-nitrophenyl)sulfonyl-amino]benzoate CAS Name: 4-[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[benzyl-(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[benzyl-(3-nitrophenyl)sulfonyl-amino]benzoic acid benzyl ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O6S/c30-27(35-20-22-10-5-2-6-11-22)23-14-16-24(17-15-23)28(19-21-8-3-1-4-9-21)36(33,34)26-13-7-12-25(18-26)29(31)32/h1-18H,19-20H2