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

Systemtic Name: methyl N-[(2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-(4-tosylpiperazin-1-ium-1-yl)propanoyl]carbamic acid methyl ester Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-12-4-6-14(7-5-12)25(22,23)19-10-8-18(9-11-19)13(2)15(20)17-16(21)24-3/h4-7,13H,8-11H2,1-3H3,(H,17,20,21)/p+1/t13-/m1/s1