[4-[(4-methoxy-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]naphthalen-1-yl] 4-methylbenzoate

Systemtic Name: [4-[(4-methoxy-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]naphthalen-1-yl] 4-methylbenzoate Openeye Name: [4-[(4-methoxy-3-nitro-phenyl)sulfonyl-(4-methylbenzoyl)amino]-1-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(4-methoxy-3-nitrophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-methoxy-3-nitrophenyl)sulfonyl-(4-methylbenzoyl)amino]naphthalen-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(4-methoxy-3-nitro-phenyl)sulfonyl-p-toluoyl-amino]-1-naphthyl] ester Formula: C33H26N2O8S MolecularWeight: 610.63314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H26N2O8S/c1-21-8-12-23(13-9-21)32(36)34(44(40,41)25-16-18-31(42-3)29(20-25)35(38)39)28-17-19-30(27-7-5-4-6-26(27)28)43-33(37)24-14-10-22(2)11-15-24/h4-20H,1-3H3