[4-[(4-ethylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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-]

Isomeric SMILES

CCC1=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-]

InChI

InChI=1S/C32H23N3O9S/c1-2-21-13-15-26(16-14-21)45(42,43)33(31(36)22-7-5-9-24(19-22)34(38)39)29-17-18-30(28-12-4-3-11-27(28)29)44-32(37)23-8-6-10-25(20-23)35(40)41/h3-20H,2H2,1H3