4-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCCC#N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCCC#N

InChI

InChI=1S/C20H29N3O2S/c21-12-4-5-13-22-14-16-23(17-15-22)26(24,25)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h8-11,18H,1-7,13-17H2/p+1