[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CCCCC3

Isomeric SMILES

C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CCCCC3

InChI

InChI=1S/C20H28N4O3S/c1-22(18-8-3-2-4-9-18)16-20(25)23-11-13-24(14-12-23)28(26,27)19-10-6-5-7-17(19)15-21/h5-7,10,18H,2-4,8-9,11-14,16H2,1H3/p+1