3-[[4-[3-(cyclopropylsulfamoyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[3-(cyclopropylsulfamoyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(cyclopropylsulfamoyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(cyclopropylsulfamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(cyclopropylsulfamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(cyclopropylsulfamoyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic 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)NC3CC3)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)NC3CC3)C)NC(=O)CC(=O)O

InChI

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