[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: (4-o-phenetylpiperazino)-(2-tosyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C29H33N3O4S MolecularWeight: 519.65502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H33N3O4S/c1-3-36-28-11-7-6-10-26(28)30-16-18-31(19-17-30)29(33)27-20-23-8-4-5-9-24(23)21-32(27)37(34,35)25-14-12-22(2)13-15-25/h4-15,27H,3,16-21H2,1-2H3