5-bromanyl-2-methoxy-4-(4-methylpiperazin-1-yl)-1-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 5-bromanyl-2-methoxy-4-(4-methylpiperazin-1-yl)-1-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 1-(benzenesulfonyl)-5-bromo-2-methoxy-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 1-(benzenesulfonyl)-5-bromo-2-methoxy-4-(4-methyl-1-piperazinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 1-(benzenesulfonyl)-5-bromo-2-methoxy-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 1-besyl-5-bromo-2-methoxy-4-(4-methylpiperazino)-3,4-dihydro-1H-isoquinoline Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CN(C(C3=C2C(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CN1CCN(CC1)C2CN(C(C3=C2C(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H26BrN3O3S/c1-23-11-13-24(14-12-23)19-15-25(28-2)21(17-9-6-10-18(22)20(17)19)29(26,27)16-7-4-3-5-8-16/h3-10,19,21H,11-15H2,1-2H3