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

Systemtic Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-ethylsulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-ethylsulfonyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-ethylsulfonylamino]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]-ethylsulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-esyl-amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C25H34N6O4S MolecularWeight: 514.64026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O4S/c1-4-36(33,34)31(15-19-7-9-29(10-8-19)25(32)35-3)22-12-21-11-20(13-26)5-6-24(21)30(16-22)17-23-14-27-18-28(23)2/h5-6,11,14,18-19,22H,4,7-10,12,15-17H2,1-3H3