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

Systemtic Name: (2S)-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-N-ethyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-benzyl-N-ethyl-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3O3S/c1-4-24(18-21-8-6-5-7-9-21)23(27)20(3)25-14-16-26(17-15-25)30(28,29)22-12-10-19(2)11-13-22/h5-13,20H,4,14-18H2,1-3H3/p+1/t20-/m0/s1