ethyl 4-[[(4-methylphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-methylphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[(3-nitrophenyl)sulfonyl-(p-tolylmethyl)amino]methyl]benzoate CAS Name: 4-[[(4-methylphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-methylphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-methylbenzyl)-(3-nitrophenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O6S/c1-3-32-24(27)21-13-11-20(12-14-21)17-25(16-19-9-7-18(2)8-10-19)33(30,31)23-6-4-5-22(15-23)26(28)29/h4-15H,3,16-17H2,1-2H3