3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-mesylpiperazino)methyl]phenyl]methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O3S/c1-29(27,28)25-13-11-23(12-14-25)16-18-5-4-8-20(15-18)22(26)24-10-9-19-6-2-3-7-21(19)17-24/h2-8,15H,9-14,16-17H2,1H3