N-(cyclohexylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclohexylmethyl)acetamide CAS Name: N-(cyclohexylmethyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclohexylmethyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclohexylmethyl)acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O3S/c24-20(21-15-18-7-3-1-4-8-18)16-22-11-13-23(14-12-22)27(25,26)17-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H,21,24)/p+1