N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-esyl-isonipecotamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)CC)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)CC)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H33N3O3S/c1-3-20(23-12-9-17-7-5-6-8-19(17)16-23)15-22-21(25)18-10-13-24(14-11-18)28(26,27)4-2/h5-8,18,20H,3-4,9-16H2,1-2H3,(H,22,25)