methyl 4-[[[6-cyano-1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[[6-cyano-1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[[6-cyano-1-(3-pyridylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-cyano-1-(3-pyridinylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridinylsulfonyl)amino]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[6-cyano-1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-cyano-1-(3-pyridylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C29H32N6O4S MolecularWeight: 560.66718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)CN(C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CC=C4)S(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

COC(=O)N1CCC(CC1)CN(C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CC=C4)S(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C29H32N6O4S/c1-39-29(36)33-13-9-22(10-14-33)20-35(40(37,38)28-6-2-3-12-32-28)26-16-25-15-23(17-30)7-8-27(25)34(21-26)19-24-5-4-11-31-18-24/h2-8,11-12,15,18,22,26H,9-10,13-14,16,19-21H2,1H3