[4-[(3-nitrophenyl)carbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(3-nitrophenyl)carbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4-isopropylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[(3-nitrophenyl)-oxomethyl]-(4-propan-2-ylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[(3-nitrobenzoyl)-(4-propan-2-ylphenyl)sulfonylamino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(3-nitrobenzoyl)-p-cumenylsulfonyl-amino]phenyl] ester Formula: C29H23N3O9S MolecularWeight: 589.57262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)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-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)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-]

InChI

InChI=1S/C29H23N3O9S/c1-19(2)20-9-15-27(16-10-20)42(39,40)30(28(33)21-5-3-7-24(17-21)31(35)36)23-11-13-26(14-12-23)41-29(34)22-6-4-8-25(18-22)32(37)38/h3-19H,1-2H3