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

Systemtic Name: 1-[4-[[1-(phenylmethyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]isoquinoline Openeye Name: 1-[4-[(1-benzylsulfonyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazin-1-yl]isoquinoline CAS Name: 1-[4-[[1-(phenylmethyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl]-1-piperazinyl]isoquinoline IUPAC Name: 1-[4-[(1-benzylsulfonyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazin-1-yl]isoquinoline Traditional Name: 1-[4-[(1-benzylsulfonyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazino]isoquinoline Formula: C30H32N4O2S MolecularWeight: 512.66568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1CN3CCN(CC3)C4=NC=CC5=CC=CC=C54)S(=O)(=O)CC6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2N(C1CN3CCN(CC3)C4=NC=CC5=CC=CC=C54)S(=O)(=O)CC6=CC=CC=C6

InChI

InChI=1S/C30H32N4O2S/c35-37(36,23-24-8-2-1-3-9-24)34-27(15-14-26-11-5-7-13-29(26)34)22-32-18-20-33(21-19-32)30-28-12-6-4-10-25(28)16-17-31-30/h1-13,16-17,27H,14-15,18-23H2