2-[4-[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(3R)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazino]-1-pyrrolidino-ethanone Formula: C22H32N4O4S MolecularWeight: 448.57888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H32N4O4S/c1-2-31(29,30)26-16-19-8-4-3-7-18(19)15-20(26)22(28)25-13-11-23(12-14-25)17-21(27)24-9-5-6-10-24/h3-4,7-8,20H,2,5-6,9-17H2,1H3/t20-/m1/s1