N-(2-cyanopropan-2-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4S/c1-18(2,14-19)20(3)17(23)13-21-9-11-22(12-10-21)27(24,25)16-7-5-15(26-4)6-8-16/h5-8H,9-13H2,1-4H3/p+1