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

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

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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=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=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=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

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