1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazino]-2-ethyl-butan-1-one Formula: C28H39N3O6S MolecularWeight: 545.69076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

InChI

InChI=1S/C28H39N3O6S/c1-6-20(7-2)28(32)30-14-12-29(13-15-30)24-18-23(8-9-25(24)35-3)38(33,34)31-11-10-21-16-26(36-4)27(37-5)17-22(21)19-31/h8-9,16-18,20H,6-7,10-15,19H2,1-5H3