N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C20H30N4O4S/c1-5-28-17-6-8-18(9-7-17)29(26,27)24-12-10-23(11-13-24)14-19(25)22-20(4,15-21)16(2)3/h6-9,16H,5,10-14H2,1-4H3,(H,22,25)/p+1/t20-/m1/s1