methyl N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-(4-besylpiperazin-1-ium-1-yl)acetyl]carbamic acid methyl ester Formula: C14H20N3O5S+ MolecularWeight: 342.3907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5S/c1-22-14(19)15-13(18)11-16-7-9-17(10-8-16)23(20,21)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,18,19)/p+1