ethyl N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-(4-p-cumenylsulfonylpiperazin-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=CC=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-4-26-18(23)19-17(22)13-20-9-11-21(12-10-20)27(24,25)16-7-5-15(6-8-16)14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,19,22,23)/p+1