2-ethylsulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[1-(phenylmethyl)-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c1-2-31(29,30)27-18-21-11-7-6-10-20(21)16-23(27)24(28)25-22-12-14-26(15-13-22)17-19-8-4-3-5-9-19/h3-11,22-23H,2,12-18H2,1H3,(H,25,28)