methyl (2R)-2-[[(2S)-1-(phenylsulfonyl)piperazin-4-ium-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-(phenylsulfonyl)piperazin-4-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(benzenesulfonyl)piperazin-4-ium-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-(benzenesulfonyl)-2-piperazin-4-iumyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(benzenesulfonyl)piperazin-4-ium-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-besylpiperazin-4-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1C[NH2+]CCN1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1C[NH2+]CCN1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H21N3O5S/c1-11(15(20)23-2)17-14(19)13-10-16-8-9-18(13)24(21,22)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,19)/p+1/t11-,13+/m1/s1