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

Systemtic Name: [4-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 4-nitrobenzoate Openeye Name: [4-[(4-nitrobenzoyl)-(p-tolylsulfonyl)amino]-1-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-methylphenyl)sulfonyl-(4-nitrobenzoyl)amino]naphthalen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(4-nitrobenzoyl)-tosyl-amino]-1-naphthyl] ester Formula: C31H21N3O9S MolecularWeight: 611.57814

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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=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=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/C31H21N3O9S/c1-20-6-16-25(17-7-20)44(41,42)32(30(35)21-8-12-23(13-9-21)33(37)38)28-18-19-29(27-5-3-2-4-26(27)28)43-31(36)22-10-14-24(15-11-22)34(39)40/h2-19H,1H3