6-(azepan-1-ylsulfonyl)-2-(2-chlorophenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(2-chlorophenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2-chlorophenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2-chlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2-chlorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(2-chlorophenyl)cinchoninic acid Formula: C22H21ClN2O4S MolecularWeight: 444.93114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN2O4S/c23-19-8-4-3-7-16(19)21-14-18(22(26)27)17-13-15(9-10-20(17)24-21)30(28,29)25-11-5-1-2-6-12-25/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,26,27)