6-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]pyridine-2-carboxylic acid Openeye Name: 6-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]pyridine-2-carboxylic acid CAS Name: 6-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridinylsulfonyl)amino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]methyl]pyridine-2-carboxylic acid Traditional Name: 6-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]picolinic acid Formula: C27H25N7O4S MolecularWeight: 543.5969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4=CC=CC(=N4)C(=O)O)S(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4=CC=CC(=N4)C(=O)O)S(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C27H25N7O4S/c1-32-18-29-14-23(32)17-33-16-22(12-20-11-19(13-28)8-9-25(20)33)34(39(37,38)26-7-2-3-10-30-26)15-21-5-4-6-24(31-21)27(35)36/h2-11,14,18,22H,12,15-17H2,1H3,(H,35,36)