[4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(2,5-dimethylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]naphthalen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(2,5-dimethylphenyl)sulfonyl-(4-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)C)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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