[4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

Systemtic Name: [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(2,4-dimethylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C32H23N3O9S MolecularWeight: 625.60472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H23N3O9S/c1-20-13-16-30(21(2)17-20)45(42,43)33(31(36)22-7-5-9-24(18-22)34(38)39)28-14-15-29(27-12-4-3-11-26(27)28)44-32(37)23-8-6-10-25(19-23)35(40)41/h3-19H,1-2H3