3-[[(4E)-1-oxidanylidene-4-thiophen-2-ylsulfonylimino-naphthalen-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(4E)-1-oxidanylidene-4-thiophen-2-ylsulfonylimino-naphthalen-2-yl]amino]benzoic acid Openeye Name: 3-[[(4E)-1-oxo-4-(2-thienylsulfonylimino)-2-naphthyl]amino]benzoic acid CAS Name: 3-[[(4E)-1-oxo-4-thiophen-2-ylsulfonylimino-2-naphthalenyl]amino]benzoic acid IUPAC Name: 3-[[(4E)-1-oxo-4-thiophen-2-ylsulfonyliminonaphthalen-2-yl]amino]benzoic acid Traditional Name: 3-[[(4E)-1-keto-4-(2-thienylsulfonylimino)-2-naphthyl]amino]benzoic acid Formula: C21H14N2O5S2 MolecularWeight: 438.47626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC=CS3)C=C(C2=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=N/S(=O)(=O)C3=CC=CS3)/C=C(C2=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H14N2O5S2/c24-20-16-8-2-1-7-15(16)17(23-30(27,28)19-9-4-10-29-19)12-18(20)22-14-6-3-5-13(11-14)21(25)26/h1-12,22H,(H,25,26)/b23-17+