2-[4-(2-tert-butylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-tert-butylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-tert-butylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(tert-butylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-tert-butylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(tert-butylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H23N3O3S2/c1-17(2,3)24-13-16(21)19-8-10-20(11-9-19)25(22,23)15-7-5-4-6-14(15)12-18/h4-7H,8-11,13H2,1-3H3