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

Systemtic Name: [4-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(3-nitrobenzoyl)-(p-tolylsulfonyl)amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(3-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(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=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(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

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