2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-cyclopropylacetamide IUPAC Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H28N4O3S/c23-16-18-6-4-5-9-21(18)30(28,29)25-14-12-24(13-15-25)17-22(27)26(20-10-11-20)19-7-2-1-3-8-19/h4-7,9,20H,1-3,8,10-15,17H2/p+1