2-[4-(2-cyclopentylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-cyclopentylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-cyclopentylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(cyclopentylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-cyclopentylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(cyclopentylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C18H23N3O3S2 MolecularWeight: 393.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H23N3O3S2/c19-13-15-5-1-4-8-17(15)26(23,24)21-11-9-20(10-12-21)18(22)14-25-16-6-2-3-7-16/h1,4-5,8,16H,2-3,6-7,9-12,14H2