5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylic acid Openeye Name: 5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-phenyl-benzofuran-3-carboxylic acid CAS Name: 5-[(4-methyl-3-nitrophenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid IUPAC Name: 5-[(4-methyl-3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylic acid Traditional Name: 5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-phenyl-benzofuran-3-carboxylic acid Formula: C22H16N2O7S MolecularWeight: 452.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O7S/c1-13-7-9-16(12-18(13)24(27)28)32(29,30)23-15-8-10-19-17(11-15)20(22(25)26)21(31-19)14-5-3-2-4-6-14/h2-12,23H,1H3,(H,25,26)