2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(3-cyclohexyl-1-oxopropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-cyclohexylpropanoyl)piperazino]sulfonylbenzonitrile Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c21-16-18-8-4-5-9-19(18)27(25,26)23-14-12-22(13-15-23)20(24)11-10-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-15H2