3-[[(4E)-1-oxidanylidene-4-(2,4,5-trimethylphenyl)sulfonylimino-naphthalen-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(4E)-1-oxidanylidene-4-(2,4,5-trimethylphenyl)sulfonylimino-naphthalen-2-yl]amino]benzoic acid Openeye Name: 3-[[(4E)-1-oxo-4-(2,4,5-trimethylphenyl)sulfonylimino-2-naphthyl]amino]benzoic acid CAS Name: 3-[[(4E)-1-oxo-4-(2,4,5-trimethylphenyl)sulfonylimino-2-naphthalenyl]amino]benzoic acid IUPAC Name: 3-[[(4E)-1-oxo-4-(2,4,5-trimethylphenyl)sulfonyliminonaphthalen-2-yl]amino]benzoic acid Traditional Name: 3-[[(4E)-1-keto-4-(2,4,5-trimethylphenyl)sulfonylimino-2-naphthyl]amino]benzoic acid Formula: C26H22N2O5S MolecularWeight: 474.52828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)NC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C26H22N2O5S/c1-15-11-17(3)24(12-16(15)2)34(32,33)28-22-14-23(25(29)21-10-5-4-9-20(21)22)27-19-8-6-7-18(13-19)26(30)31/h4-14,27H,1-3H3,(H,30,31)/b28-22+