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

Systemtic Name: 1-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)-N-phenylpiperidine-4-carboxamide Traditional Name: 1-(2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)-N-phenyl-isonipecotamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S/c1-2-32(30,31)27-17-20-9-7-6-8-19(20)16-22(27)24(29)26-14-12-18(13-15-26)23(28)25-21-10-4-3-5-11-21/h3-11,18,22H,2,12-17H2,1H3,(H,25,28)