(4-nitrophenyl)methyl 4-chloranyl-3-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-chloranyl-3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: (4-nitrophenyl)methyl 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoic acid (4-nitrobenzyl) ester Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O6S/c1-23(17-5-3-2-4-6-17)31(28,29)20-13-16(9-12-19(20)22)21(25)30-14-15-7-10-18(11-8-15)24(26)27/h2-13H,14H2,1H3