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

Systemtic Name: (4-phenylpiperazin-1-yl)-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: [2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: (2-besyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-phenylpiperazino)methanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c30-26(28-17-15-27(16-18-28)23-11-3-1-4-12-23)25-19-21-9-7-8-10-22(21)20-29(25)33(31,32)24-13-5-2-6-14-24/h1-14,25H,15-20H2