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

Systemtic Name: ethyl 4-[[(4-bromophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-bromophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-(3-nitrophenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C23H21BrN2O6S MolecularWeight: 533.39164

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21BrN2O6S/c1-2-32-23(27)19-10-6-17(7-11-19)15-25(16-18-8-12-20(24)13-9-18)33(30,31)22-5-3-4-21(14-22)26(28)29/h3-14H,2,15-16H2,1H3