[4-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[(4-nitrobenzoyl)-(p-tolylsulfonyl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-methylphenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(4-nitrobenzoyl)-tosyl-amino]phenyl] ester Formula: C27H19N3O9S MolecularWeight: 561.51946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)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)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/C27H19N3O9S/c1-18-2-16-25(17-3-18)40(37,38)28(26(31)19-4-8-22(9-5-19)29(33)34)21-12-14-24(15-13-21)39-27(32)20-6-10-23(11-7-20)30(35)36/h2-17H,1H3