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

Systemtic Name: 8-[[4-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[2-oxo-2-(4-sulfamoylanilino)ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-(4-sulfamoylanilino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C26H21N3O6S2 MolecularWeight: 535.59144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)C(=CC=C2)C(=O)O

InChI

InChI=1S/C26H21N3O6S2/c27-37(34,35)20-13-9-17(10-14-20)28-23(30)15-36-19-11-7-18(8-12-19)29-25(31)21-5-1-3-16-4-2-6-22(24(16)21)26(32)33/h1-14H,15H2,(H,28,30)(H,29,31)(H,32,33)(H2,27,34,35)