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

Systemtic Name: 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]acetic acid CAS Name: 2-[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]acetic acid Traditional Name: 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]acetic acid Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC(=O)O)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC(=O)O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C22H22N6O4S/c1-26-15-24-11-19(26)13-27-12-18(9-17-8-16(10-23)5-6-20(17)27)28(14-22(29)30)33(31,32)21-4-2-3-7-25-21/h2-8,11,15,18H,9,12-14H2,1H3,(H,29,30)