N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]acetamide CAS Name: N-tert-butyl-2-[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]-(2-pyridinylsulfonyl)amino]acetamide IUPAC Name: N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]acetamide Traditional Name: N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4,4a,5-tetrahydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]acetamide Formula: C26H33N7O3S MolecularWeight: 523.65032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C1CC2CC(=CC=C2N(C1)CC3=CN=CN3C)C#N)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)NC(=O)CN(C1CC2CC(=CC=C2N(C1)CC3=CN=CN3C)C#N)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C26H33N7O3S/c1-26(2,3)30-24(34)17-33(37(35,36)25-7-5-6-10-29-25)21-12-20-11-19(13-27)8-9-23(20)32(15-21)16-22-14-28-18-31(22)4/h5-10,14,18,20-21H,11-12,15-17H2,1-4H3,(H,30,34)