(E)-2-phenyl-3-[4-(phenylsulfonylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-2-phenyl-3-[4-(phenylsulfonylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-(benzenesulfonamido)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[4-(benzenesulfonamido)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-[4-(benzenesulfonamido)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylprop-2-enoic acid Traditional Name: (E)-3-[4-(benzenesulfonamido)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-acrylic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CNC3=NC=CC(=C23)NS(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=CNC3=NC=CC(=C23)NS(=O)(=O)C4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C22H17N3O4S/c26-22(27)18(15-7-3-1-4-8-15)13-16-14-24-21-20(16)19(11-12-23-21)25-30(28,29)17-9-5-2-6-10-17/h1-14H,(H,26,27)(H2,23,24,25)/b18-13+