5-[[3-[(4-methylphenyl)carbonylamino]-5-(quinolin-8-ylcarbamoyl)phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-[(4-methylphenyl)carbonylamino]-5-(quinolin-8-ylcarbamoyl)phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-[(4-methylbenzoyl)amino]-5-(8-quinolylcarbamoyl)benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[[(4-methylphenyl)-oxomethyl]amino]-5-[oxo-(8-quinolinylamino)methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-[(4-methylbenzoyl)amino]-5-(quinolin-8-ylcarbamoyl)benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-(p-toluoylamino)-5-(8-quinolylcarbamoyl)benzoyl]amino]naphthalene-2-sulfonic acid Formula: C35H26N4O6S MolecularWeight: 630.66914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C35H26N4O6S/c1-21-10-12-23(13-11-21)33(40)37-27-18-25(17-26(19-27)35(42)39-31-9-2-5-22-7-4-16-36-32(22)31)34(41)38-30-8-3-6-24-20-28(46(43,44)45)14-15-29(24)30/h2-20H,1H3,(H,37,40)(H,38,41)(H,39,42)(H,43,44,45)