methyl (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[(1-tosylisonipecotoyl)amino]butyric acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C19H28N2O5S/c1-13(2)17(19(23)26-4)20-18(22)15-9-11-21(12-10-15)27(24,25)16-7-5-14(3)6-8-16/h5-8,13,15,17H,9-12H2,1-4H3,(H,20,22)/t17-/m0/s1