3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[(1-tosylisonipecotoyl)amino]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-12-2-4-14(5-3-12)24(22,23)18-10-7-13(8-11-18)16(21)17-9-6-15(19)20/h2-5,13H,6-11H2,1H3,(H,17,21)(H,19,20)