[4-[(4-chloranyl-3-methyl-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(4-chloro-3-methyl-phenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-chloro-3-methylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-chloro-3-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4-chloro-3-methyl-phenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C31H20ClN3O9S MolecularWeight: 646.0232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C31H20ClN3O9S/c1-19-16-24(12-13-27(19)32)45(42,43)33(30(36)20-6-4-8-22(17-20)34(38)39)28-14-15-29(26-11-3-2-10-25(26)28)44-31(37)21-7-5-9-23(18-21)35(40)41/h2-18H,1H3