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

Systemtic Name: (3-nitrophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: (3-nitrophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid (3-nitrobenzyl) ester Formula: C23H22N2O6S MolecularWeight: 454.49558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-3-24(20-9-5-4-6-10-20)32(29,30)22-15-19(13-12-17(22)2)23(26)31-16-18-8-7-11-21(14-18)25(27)28/h4-15H,3,16H2,1-2H3