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

Systemtic Name: (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: (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]butanoate IUPAC Name: (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[(1-tosylisonipecotoyl)amino]butyrate Formula: C18H25N2O5S- MolecularWeight: 381.4665

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-12(2)16(18(22)23)19-17(21)14-8-10-20(11-9-14)26(24,25)15-6-4-13(3)5-7-15/h4-7,12,14,16H,8-11H2,1-3H3,(H,19,21)(H,22,23)/p-1/t16-/m0/s1