2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(p-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-[(4-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-6-(tosylamino)cinchoninic acid Formula: C29H30N4O4S MolecularWeight: 530.6379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC(=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC(=C5C)C

InChI

InChI=1S/C29H30N4O4S/c1-19-7-10-23(11-8-19)38(36,37)31-22-9-12-26-24(17-22)25(29(34)35)18-28(30-26)33-15-13-32(14-16-33)27-6-4-5-20(2)21(27)3/h4-12,17-18,31H,13-16H2,1-3H3,(H,34,35)