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

Systemtic Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-methylsulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-methylsulfonyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-methylsulfonylamino]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]-methylsulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-mesyl-amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C24H32N6O4S MolecularWeight: 500.61368

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O4S/c1-27-17-26-13-22(27)16-29-15-21(11-20-10-19(12-25)4-5-23(20)29)30(35(3,32)33)14-18-6-8-28(9-7-18)24(31)34-2/h4-5,10,13,17-18,21H,6-9,11,14-16H2,1-3H3