2-[[3,5-dimethyl-4-(4-oxidanyl-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-dimethyl-4-(4-oxidanyl-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(4-hydroxy-3-pyrrolidin-1-ylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[4-hydroxy-3-(1-pyrrolidinylsulfonyl)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(4-hydroxy-3-pyrrolidin-1-ylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-(4-hydroxy-3-pyrrolidinosulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C20H22N2O7S/c1-12-9-14(21-19(24)20(25)26)10-13(2)18(12)29-15-5-6-16(23)17(11-15)30(27,28)22-7-3-4-8-22/h5-6,9-11,23H,3-4,7-8H2,1-2H3,(H,21,24)(H,25,26)