methyl N-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamate CAS Name: N-[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamate Traditional Name: N-[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamic acid methyl ester Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H21N3O5S/c1-23-15(20)16-14(19)11-17-7-9-18(10-8-17)24(21,22)12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,19,20)/p+1