(E)-3-[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(3-hydroxy-1-piperidyl)sulfonyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-hydroxy-1-piperidinyl)sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-hydroxypiperidino)sulfonylphenyl]acrylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O)O

InChI

InChI=1S/C14H17NO5S/c16-12-2-1-9-15(10-12)21(19,20)13-6-3-11(4-7-13)5-8-14(17)18/h3-8,12,16H,1-2,9-10H2,(H,17,18)/b8-5+