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

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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