6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[3-[(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidino]nicotinonitrile Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H30N4O3S/c1-32(29,30)28-13-10-21-15-23(6-5-22(21)18-28)31-14-2-3-19-8-11-27(12-9-19)24-7-4-20(16-25)17-26-24/h4-7,15,17,19H,2-3,8-14,18H2,1H3