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

Systemtic Name: (E)-2-phenyl-3-[4-[(4-sulfamoylphenyl)methylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-2-phenyl-3-[4-[(4-sulfamoylphenyl)methylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid CAS Name: (E)-2-phenyl-3-[4-[(4-sulfamoylphenyl)methylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propenoic acid IUPAC Name: (E)-2-phenyl-3-[4-[(4-sulfamoylphenyl)methylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid Traditional Name: (E)-2-phenyl-3-[4-[(4-sulfamoylbenzyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]acrylic acid Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CNC3=NC=CC(=C23)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=CNC3=NC=CC(=C23)NCC4=CC=C(C=C4)S(=O)(=O)N)/C(=O)O

InChI

InChI=1S/C23H20N4O4S/c24-32(30,31)18-8-6-15(7-9-18)13-26-20-10-11-25-22-21(20)17(14-27-22)12-19(23(28)29)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,28,29)(H2,24,30,31)(H2,25,26,27)/b19-12+