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

Systemtic Name: methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-(phenylsulfonyl)piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(benzenesulfonyl)-4-methylsulfonyl-piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-(benzenesulfonyl)-4-methylsulfonyl-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(benzenesulfonyl)-4-methylsulfonylpiperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-besyl-4-mesyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C16H23N3O7S2 MolecularWeight: 433.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O7S2/c1-12(16(21)26-2)17-15(20)14-11-18(27(3,22)23)9-10-19(14)28(24,25)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,20)/t12-,14+/m1/s1