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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]nipecotamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCN3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O3S/c27-23(24-13-16-25-15-12-19-7-4-5-8-20(19)17-25)21-9-6-14-26(18-21)30(28,29)22-10-2-1-3-11-22/h1-5,7-8,10-11,21H,6,9,12-18H2,(H,24,27)