(E)-3-[2-(phenylsulfonylamino)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(phenylsulfonylamino)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(benzenesulfonamido)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(benzenesulfonamido)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(benzenesulfonamido)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(benzenesulfonamido)pyrimidin-5-yl]acrylic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C13H11N3O4S/c17-12(18)7-6-10-8-14-13(15-9-10)16-21(19,20)11-4-2-1-3-5-11/h1-9H,(H,17,18)(H,14,15,16)/b7-6+