3-[(3-chlorophenyl)carbonylamino]-5-[(6-phenoxyperoxysulfanylnaphthalen-1-yl)carbamoyl]benzoic acid

Systemtic Name: 3-[(3-chlorophenyl)carbonylamino]-5-[(6-phenoxyperoxysulfanylnaphthalen-1-yl)carbamoyl]benzoic acid Openeye Name: 3-[(3-chlorobenzoyl)amino]-5-[(6-phenoxyperoxysulfanyl-1-naphthyl)carbamoyl]benzoic acid CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-5-[oxo-[[6-(phenoxydioxythio)-1-naphthalenyl]amino]methyl]benzoic acid IUPAC Name: 3-[(3-chlorobenzoyl)amino]-5-[(6-phenoxyperoxysulfanylnaphthalen-1-yl)carbamoyl]benzoic acid Traditional Name: 3-[(3-chlorobenzoyl)amino]-5-[[6-(phenoxyperoxythio)-1-naphthyl]carbamoyl]benzoic acid Formula: C31H21ClN2O7S MolecularWeight: 601.02564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OOOSC2=CC3=C(C=C2)C(=CC=C3)NC(=O)C4=CC(=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OOOSC2=CC3=C(C=C2)C(=CC=C3)NC(=O)C4=CC(=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl)C(=O)O

InChI

InChI=1S/C31H21ClN2O7S/c32-23-8-4-7-20(15-23)29(35)33-24-16-21(14-22(17-24)31(37)38)30(36)34-28-11-5-6-19-18-26(12-13-27(19)28)42-41-40-39-25-9-2-1-3-10-25/h1-18H,(H,33,35)(H,34,36)(H,37,38)