(2S)-N-cyclohexyl-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclohexyl-N-ethyl-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H35N3O3S/c1-4-25(20-8-6-5-7-9-20)22(26)19(3)23-14-16-24(17-15-23)29(27,28)21-12-10-18(2)11-13-21/h10-13,19-20H,4-9,14-17H2,1-3H3/p+1/t19-/m0/s1