methyl (2R,3S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[(1-tosylisonipecotoyl)amino]valeric acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H30N2O5S/c1-5-15(3)18(20(24)27-4)21-19(23)16-10-12-22(13-11-16)28(25,26)17-8-6-14(2)7-9-17/h6-9,15-16,18H,5,10-13H2,1-4H3,(H,21,23)/t15-,18+/m0/s1