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

Systemtic Name: (2S)-N-ethyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-propanamide CAS Name: (2S)-N-ethyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethylpropanamide Traditional Name: (2S)-N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-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)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-3-24(18-21-10-6-4-7-11-21)23(27)20(2)25-14-16-26(17-15-25)30(28,29)19-22-12-8-5-9-13-22/h4-13,20H,3,14-19H2,1-2H3/p+1/t20-/m0/s1