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

Systemtic Name: 3-[[1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(4-acetylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-acetylphenyl)sulfonylnipecotoyl]amino]propionic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H22N2O6S/c1-12(20)13-4-6-15(7-5-13)26(24,25)19-10-2-3-14(11-19)17(23)18-9-8-16(21)22/h4-7,14H,2-3,8-11H2,1H3,(H,18,23)(H,21,22)