[4-[(4-methylphenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]phenyl] 4-methylbenzoate

Systemtic Name: [4-[(4-methylphenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]phenyl] 4-methylbenzoate Openeye Name: [4-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonyl-amino]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[[(4-methylphenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonylamino]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(3-nitrophenyl)sulfonyl-p-toluoyl-amino]phenyl] ester Formula: C28H22N2O7S MolecularWeight: 530.54848

Click to see the large picture

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

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

InChI

InChI=1S/C28H22N2O7S/c1-19-6-10-21(11-7-19)27(31)29(38(35,36)26-5-3-4-24(18-26)30(33)34)23-14-16-25(17-15-23)37-28(32)22-12-8-20(2)9-13-22/h3-18H,1-2H3