1-[4-[[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]isoquinoline

Systemtic Name: 1-[4-[[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]isoquinoline Openeye Name: 1-[4-[[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]isoquinoline CAS Name: 1-[4-[[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]-1-piperazinyl]isoquinoline IUPAC Name: 1-[4-[[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]isoquinoline Traditional Name: 1-[4-[(1-besyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazino]isoquinoline Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1CN3CCN(CC3)C4=NC=CC5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2N(C1CN3CCN(CC3)C4=NC=CC5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H30N4O2S/c34-36(35,26-10-2-1-3-11-26)33-25(15-14-24-9-5-7-13-28(24)33)22-31-18-20-32(21-19-31)29-27-12-6-4-8-23(27)16-17-30-29/h1-13,16-17,25H,14-15,18-22H2