2-(2,5-dimethyl-3-pyrrol-1-ylsulfonyl-phenyl)-3-phenyl-5H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 2-(2,5-dimethyl-3-pyrrol-1-ylsulfonyl-phenyl)-3-phenyl-5H-1,2-oxazole-5-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-pyrrol-1-ylsulfonyl-phenyl)-3-phenyl-5H-isoxazole-5-carboxylic acid CAS Name: 2-[2,5-dimethyl-3-(1-pyrrolylsulfonyl)phenyl]-3-phenyl-5H-isoxazole-5-carboxylic acid IUPAC Name: 2-(2,5-dimethyl-3-pyrrol-1-ylsulfonylphenyl)-3-phenyl-5H-1,2-oxazole-5-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-pyrrol-1-ylsulfonyl-phenyl)-3-phenyl-3-isoxazoline-5-carboxylic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)N2C=CC=C2)C)N3C(=CC(O3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)N2C=CC=C2)C)N3C(=CC(O3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O5S/c1-15-12-18(16(2)21(13-15)30(27,28)23-10-6-7-11-23)24-19(14-20(29-24)22(25)26)17-8-4-3-5-9-17/h3-14,20H,1-2H3,(H,25,26)