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

Systemtic Name: [4-[(2-chloranyl-5-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]phenyl] 4-methylbenzoate Openeye Name: [4-[(2-chloro-5-nitro-phenyl)sulfonyl-(4-methylbenzoyl)amino]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(2-chloro-5-nitrophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-chloro-5-nitrophenyl)sulfonyl-(4-methylbenzoyl)amino]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(2-chloro-5-nitro-phenyl)sulfonyl-p-toluoyl-amino]phenyl] ester Formula: C28H21ClN2O7S MolecularWeight: 564.99354

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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-])Cl

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-])Cl

InChI

InChI=1S/C28H21ClN2O7S/c1-18-3-7-20(8-4-18)27(32)30(39(36,37)26-17-23(31(34)35)13-16-25(26)29)22-11-14-24(15-12-22)38-28(33)21-9-5-19(2)6-10-21/h3-17H,1-2H3