2-(phenylsulfonyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(phenylsulfonyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(benzenesulfonyl)-6-[3-(1-piperidyl)propoxy]-3,4-dihydro-1H-isoquinoline CAS Name: 2-(benzenesulfonyl)-6-[3-(1-piperidinyl)propoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(benzenesulfonyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-besyl-6-(3-piperidinopropoxy)-3,4-dihydro-1H-isoquinoline Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC3=C(CN(CC3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC3=C(CN(CC3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C23H30N2O3S/c26-29(27,23-8-3-1-4-9-23)25-16-12-20-18-22(11-10-21(20)19-25)28-17-7-15-24-13-5-2-6-14-24/h1,3-4,8-11,18H,2,5-7,12-17,19H2