3-(dinaphthalen-1-ylsulfamoyl)-4-[(4-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-(dinaphthalen-1-ylsulfamoyl)-4-[(4-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-[bis(1-naphthyl)sulfamoyl]-4-[(4-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 3-[bis(1-naphthalenyl)sulfamoyl]-4-[(4-nitrophenyl)methylthio]benzoic acid IUPAC Name: 3-(dinaphthalen-1-ylsulfamoyl)-4-[(4-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-[bis(1-naphthyl)sulfamoyl]-4-[(4-nitrobenzyl)thio]benzoic acid Formula: C34H24N2O6S2 MolecularWeight: 620.69416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N(C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=C(C=CC(=C5)C(=O)O)SCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N(C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=C(C=CC(=C5)C(=O)O)SCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C34H24N2O6S2/c37-34(38)26-17-20-32(43-22-23-15-18-27(19-16-23)36(39)40)33(21-26)44(41,42)35(30-13-5-9-24-7-1-3-11-28(24)30)31-14-6-10-25-8-2-4-12-29(25)31/h1-21H,22H2,(H,37,38)