[4-[(4-chloranyl-3-methyl-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4-chloro-3-methyl-phenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-chloro-3-methylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-chloro-3-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4-chloro-3-methyl-phenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] ester Formula: C27H18ClN3O9S MolecularWeight: 595.96452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=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-])Cl

Isomeric SMILES

CC1=C(C=CC(=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-])Cl

InChI

InChI=1S/C27H18ClN3O9S/c1-17-14-24(12-13-25(17)28)41(38,39)29(26(32)18-4-2-6-21(15-18)30(34)35)20-8-10-23(11-9-20)40-27(33)19-5-3-7-22(16-19)31(36)37/h2-16H,1H3