methyl 4-[[(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-(2-pyridinylsulfonyl)amino]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-pyridin-2-ylsulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)CN(C2CC3=C(C=CC(=C3)C#N)NC2)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

COC(=O)N1CCC(CC1)CN(C2CC3=C(C=CC(=C3)C#N)NC2)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H27N5O4S/c1-32-23(29)27-10-7-17(8-11-27)16-28(33(30,31)22-4-2-3-9-25-22)20-13-19-12-18(14-24)5-6-21(19)26-15-20/h2-6,9,12,17,20,26H,7-8,10-11,13,15-16H2,1H3