N-tert-butyl-4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxamide Openeye Name: N-tert-butyl-4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxamide CAS Name: N-tert-butyl-4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridinylsulfonyl)amino]methyl]-1-piperidinecarboxamide IUPAC Name: N-tert-butyl-4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]methyl]piperidine-1-carboxamide Traditional Name: N-tert-butyl-4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxamide Formula: C31H40N8O3S MolecularWeight: 604.7661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCC(CC1)CN(C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4C)S(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

CC(C)(C)NC(=O)N1CCC(CC1)CN(C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4C)S(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C31H40N8O3S/c1-31(2,3)35-30(40)37-13-10-23(11-14-37)19-39(43(41,42)29-7-5-6-12-34-29)26-16-25-15-24(17-32)8-9-28(25)38(20-26)21-27-18-33-22-36(27)4/h5-9,12,15,18,22-23,26H,10-11,13-14,16,19-21H2,1-4H3,(H,35,40)