(E)-2-phenyl-3-[6-(phenylsulfonylmethylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-2-phenyl-3-[6-(phenylsulfonylmethylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-(benzenesulfonylmethylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[6-(benzenesulfonylmethylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-[6-(benzenesulfonylmethylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylprop-2-enoic acid Traditional Name: (E)-3-[6-(besylmethylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-acrylic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CNC3=C2C=CC(=N3)NCS(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=CNC3=C2C=CC(=N3)NCS(=O)(=O)C4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C23H19N3O4S/c27-23(28)20(16-7-3-1-4-8-16)13-17-14-24-22-19(17)11-12-21(26-22)25-15-31(29,30)18-9-5-2-6-10-18/h1-14H,15H2,(H,27,28)(H2,24,25,26)/b20-13+