methyl (2S)-2-[[(2R)-4-ethanoyl-1-methylsulfonyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-4-ethanoyl-1-methylsulfonyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-4-acetyl-1-methylsulfonyl-piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-4-acetyl-1-methylsulfonyl-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-4-acetyl-1-methylsulfonylpiperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-4-acetyl-1-mesyl-piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H27N3O7S/c1-13(23)21-9-10-22(30(4,26)27)17(12-21)18(24)20-16(19(25)29-3)11-14-5-7-15(28-2)8-6-14/h5-8,16-17H,9-12H2,1-4H3,(H,20,24)/t16-,17+/m0/s1