2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propargyl-acetamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C21H29N3O3S/c1-2-12-22-21(25)17-23-13-15-24(16-14-23)28(26,27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h1,8-11,18H,3-7,12-17H2,(H,22,25)/p+1