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

Systemtic Name: N-[(2S)-pentan-2-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-methylbutyl]acetamide CAS Name: N-[(2S)-pentan-2-yl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-methylbutyl]acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N3O3S/c1-3-7-16(2)19-18(22)14-20-10-12-21(13-11-20)25(23,24)15-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1