3-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]sulfonylbenzonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H23N3O3S/c23-15-17-4-3-7-21(14-17)29(27,28)25-12-9-19(10-13-25)22(26)24-11-8-18-5-1-2-6-20(18)16-24/h1-7,14,19H,8-13,16H2