[4-[(4-tert-butylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate

Systemtic Name: [4-[(4-tert-butylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate Openeye Name: [4-[(4-tert-butylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-tert-butylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-tert-butylphenyl)sulfonyl-(4-nitrobenzoyl)amino]naphthalen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(4-tert-butylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C34H27N3O9S MolecularWeight: 653.65788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)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

CC(C)(C)C1=CC=C(C=C1)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/C34H27N3O9S/c1-34(2,3)24-12-18-27(19-13-24)47(44,45)35(32(38)22-8-14-25(15-9-22)36(40)41)30-20-21-31(29-7-5-4-6-28(29)30)46-33(39)23-10-16-26(17-11-23)37(42)43/h4-21H,1-3H3