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

Systemtic Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-3-ylsulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(3-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(3-pyridinylsulfonyl)amino]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-3-ylsulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(3-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C28H33N7O4S MolecularWeight: 563.67112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H33N7O4S/c1-32-20-31-15-25(32)19-34-18-24(13-23-12-22(14-29)5-6-27(23)34)35(40(37,38)26-4-3-9-30-16-26)17-21-7-10-33(11-8-21)28(36)39-2/h3-6,9,12,15-16,20-21,24H,7-8,10-11,13,17-19H2,1-2H3