methyl (2R,3S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[(4-methyl-3-piperidinosulfonyl-benzoyl)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)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-5-14(2)18(20(24)27-4)21-19(23)16-10-9-15(3)17(13-16)28(25,26)22-11-7-6-8-12-22/h9-10,13-14,18H,5-8,11-12H2,1-4H3,(H,21,23)/t14-,18+/m0/s1