4-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[3-[(E)-2-(2-pyridyl)vinyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[3-[(E)-2-(2-pyridinyl)ethenyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[3-[(E)-2-(2-pyridyl)vinyl]phenyl]sulfamoyl]benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C=CC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C21H18N2O4S/c1-15-8-10-17(21(24)25)14-20(15)28(26,27)23-19-7-4-5-16(13-19)9-11-18-6-2-3-12-22-18/h2-14,23H,1H3,(H,24,25)/b11-9+