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

Systemtic Name: 2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(4-cyclohexyl-1-oxobutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-cyclohexylbutanoyl)piperazino]sulfonylbenzonitrile Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c22-17-19-10-4-5-11-20(19)28(26,27)24-15-13-23(14-16-24)21(25)12-6-9-18-7-2-1-3-8-18/h4-5,10-11,18H,1-3,6-9,12-16H2