2-ethylsulfonyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(2-phenyl-2-pyrrolidino-ethyl)-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)NCC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CC=C3)N4CCCC4

InChI

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