2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[(3S)-1-tosylnipecotoyl]amino]acetic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC(=O)O

InChI

InChI=1S/C15H20N2O5S/c1-11-4-6-13(7-5-11)23(21,22)17-8-2-3-12(10-17)15(20)16-9-14(18)19/h4-7,12H,2-3,8-10H2,1H3,(H,16,20)(H,18,19)/t12-/m0/s1