[4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]phenyl] 4-methylbenzoate

Systemtic Name: [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]phenyl] 4-methylbenzoate Openeye Name: [4-[(4-methylbenzoyl)-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(2-methyl-5-nitrophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-methylbenzoyl)-(2-methyl-5-nitrophenyl)sulfonylamino]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(2-methyl-5-nitro-phenyl)sulfonyl-p-toluoyl-amino]phenyl] ester Formula: C29H24N2O7S MolecularWeight: 544.57506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O7S/c1-19-4-9-22(10-5-19)28(32)30(39(36,37)27-18-25(31(34)35)13-8-21(27)3)24-14-16-26(17-15-24)38-29(33)23-11-6-20(2)7-12-23/h4-18H,1-3H3