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

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H28N4O4S/c1-15(2)19(3,14-20)21-18(24)13-22-9-11-23(12-10-22)28(25,26)17-7-5-16(27-4)6-8-17/h5-8,15H,9-13H2,1-4H3,(H,21,24)/p+1/t19-/m0/s1