[4-[(3-nitrophenyl)carbonyl-(2,4,6-trimethylphenyl)sulfonyl-amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(3-nitrophenyl)carbonyl-(2,4,6-trimethylphenyl)sulfonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(3-nitrobenzoyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[(3-nitrophenyl)-oxomethyl]-(2,4,6-trimethylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[(3-nitrobenzoyl)-(2,4,6-trimethylphenyl)sulfonylamino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[mesitylsulfonyl-(3-nitrobenzoyl)amino]phenyl] ester Formula: C29H23N3O9S MolecularWeight: 589.57262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C29H23N3O9S/c1-18-14-19(2)27(20(3)15-18)42(39,40)30(28(33)21-6-4-8-24(16-21)31(35)36)23-10-12-26(13-11-23)41-29(34)22-7-5-9-25(17-22)32(37)38/h4-17H,1-3H3