1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazino]-3-(methylthio)propan-1-one Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)CCSC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)CCSC

InChI

InChI=1S/C24H31N3O4S2/c1-31-23-8-7-21(33(29,30)27-11-9-19-5-3-4-6-20(19)18-27)17-22(23)25-12-14-26(15-13-25)24(28)10-16-32-2/h3-8,17H,9-16,18H2,1-2H3