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

Systemtic Name: 2-[4-(2-cyclohexylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-cyclohexylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(cyclohexylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-cyclohexylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(cyclohexylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(CC1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H25N3O3S2/c20-14-16-6-4-5-9-18(16)27(24,25)22-12-10-21(11-13-22)19(23)15-26-17-7-2-1-3-8-17/h4-6,9,17H,1-3,7-8,10-13,15H2