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

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-16(2)17-6-8-18(9-7-17)28(26,27)24-12-10-23(11-13-24)14-19(25)22(5)20(3,4)15-21/h6-9,16H,10-14H2,1-5H3/p+1