8-[[3-[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(4-sulfamoylphenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[1-oxo-1-(4-sulfamoylanilino)butan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-oxo-1-(4-sulfamoylanilino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(4-sulfamoylphenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H25N3O6S2 MolecularWeight: 563.6446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C28H25N3O6S2/c1-2-24(27(33)30-18-12-14-21(15-13-18)39(29,36)37)38-20-9-5-8-19(16-20)31-26(32)22-10-3-6-17-7-4-11-23(25(17)22)28(34)35/h3-16,24H,2H2,1H3,(H,30,33)(H,31,32)(H,34,35)(H2,29,36,37)