methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-methylsulfonylpiperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-methylsulfonylpiperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[[(2S)-1-methylsulfonyl-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-1-mesylpiperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CNCCN2S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@@H]2CNCCN2S(=O)(=O)C

InChI

InChI=1S/C17H25N3O6S/c1-25-13-6-4-12(5-7-13)10-14(17(22)26-2)19-16(21)15-11-18-8-9-20(15)27(3,23)24/h4-7,14-15,18H,8-11H2,1-3H3,(H,19,21)/t14-,15-/m0/s1