N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCN2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCN2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H28N4O3S/c27-22(24-11-15-25-12-7-18-4-1-2-5-20(18)17-25)19-8-13-26(14-9-19)30(28,29)21-6-3-10-23-16-21/h1-6,10,16,19H,7-9,11-15,17H2,(H,24,27)