N-cyclohexyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-cyclohexyl-acetamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H27N3O3S/c22-18(19-16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)25(23,24)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,19,22)/p+1