ethyl N-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[1-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamic acid ethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H27N3O5S/c1-5-26-18(23)19-16(22)12-20-6-8-21(9-7-20)27(24,25)17-14(3)10-13(2)11-15(17)4/h10-11H,5-9,12H2,1-4H3,(H,19,22,23)/p+1