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

Systemtic Name: N-(cyclohexylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylmethyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(cyclohexylmethyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylmethyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(cyclohexylmethyl)acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c23-19(20-15-17-7-3-1-4-8-17)16-21-11-13-22(14-12-21)26(24,25)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,20,23)/p+1