1-methylsulfonyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide Traditional Name: 1-mesyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)isonipecotamide Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H27N3O4S/c1-3-18(23)21-9-6-14-4-5-17(12-16(14)13-21)20-19(24)15-7-10-22(11-8-15)27(2,25)26/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,20,24)