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

Systemtic Name: ethyl 4-[[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[benzyl-(3-nitrophenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-(3-nitrophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[benzyl-(3-nitrophenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-2-31-23(26)20-13-11-19(12-14-20)17-24(16-18-7-4-3-5-8-18)32(29,30)22-10-6-9-21(15-22)25(27)28/h3-15H,2,16-17H2,1H3