2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H24N4O3S/c23-15-19-6-3-4-8-21(19)30(28,29)26-13-11-25(12-14-26)22(27)17-24-10-9-18-5-1-2-7-20(18)16-24/h1-8H,9-14,16-17H2