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

Systemtic Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-propylsulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-propylsulfonyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-propylsulfonylamino]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]-propylsulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-propylsulfonyl-amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C26H36N6O4S MolecularWeight: 528.66684

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC1CCN(CC1)C(=O)OC)C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4C

Isomeric SMILES

CCCS(=O)(=O)N(CC1CCN(CC1)C(=O)OC)C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4C

InChI

InChI=1S/C26H36N6O4S/c1-4-11-37(34,35)32(16-20-7-9-30(10-8-20)26(33)36-3)23-13-22-12-21(14-27)5-6-25(22)31(17-23)18-24-15-28-19-29(24)2/h5-6,12,15,19-20,23H,4,7-11,13,16-18H2,1-3H3