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

Systemtic Name: methyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]carbamic acid methyl ester Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)OC

InChI

InChI=1S/C15H21N3O5S/c1-12-3-5-13(6-4-12)24(21,22)18-9-7-17(8-10-18)11-14(19)16-15(20)23-2/h3-6H,7-11H2,1-2H3,(H,16,19,20)/p+1