2-ethylsulfonyl-N-[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[3-[(2-ketopyrrolidino)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)CN4CCCC4=O

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)CN4CCCC4=O

InChI

InChI=1S/C23H27N3O4S/c1-2-31(29,30)26-16-19-9-4-3-8-18(19)14-21(26)23(28)24-20-10-5-7-17(13-20)15-25-12-6-11-22(25)27/h3-5,7-10,13,21H,2,6,11-12,14-16H2,1H3,(H,24,28)