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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

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