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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]methanone Openeye Name: [3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-[(4-besylpiperazino)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3S/c31-27(29-14-13-23-8-4-5-9-25(23)21-29)24-10-6-7-22(19-24)20-28-15-17-30(18-16-28)34(32,33)26-11-2-1-3-12-26/h1-12,19H,13-18,20-21H2