[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thienyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thiophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thienyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H23N5O3S2 MolecularWeight: 469.57972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H23N5O3S2/c28-21(25-10-12-26(13-11-25)22-23-7-3-8-24-22)19-14-20(31-16-19)32(29,30)27-9-6-17-4-1-2-5-18(17)15-27/h1-5,7-8,14,16H,6,9-13,15H2