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

Systemtic Name: (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-phenyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]acetic acid CAS Name: (2S)-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-phenyl-2-[(1-tosylisonipecotoyl)amino]acetic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-15-7-9-18(10-8-15)29(27,28)23-13-11-17(12-14-23)20(24)22-19(21(25)26)16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1