[4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(2,5-dimethylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] ester Formula: C28H21N3O9S MolecularWeight: 575.54604

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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-]

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-]

InChI

InChI=1S/C28H21N3O9S/c1-18-3-4-19(2)26(17-18)41(38,39)29(27(32)20-5-9-23(10-6-20)30(34)35)22-13-15-25(16-14-22)40-28(33)21-7-11-24(12-8-21)31(36)37/h3-17H,1-2H3