[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[oxo-(2,4,6-trimethylanilino)methyl]phenyl] ester IUPAC Name: [4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(mesitylcarbamoyl)phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H22N2O6S/c1-14-11-16(3)22(17(4)12-14)24-23(26)18-6-9-20(10-7-18)31-32(29,30)21-13-19(25(27)28)8-5-15(21)2/h5-13H,1-4H3,(H,24,26)