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

Systemtic Name: 3-[[4-[3-(cyclopentylsulfamoyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(cyclopentylsulfamoyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(cyclopentylsulfamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(cyclopentylsulfamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(cyclopentylsulfamoyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)NC3CCCC3)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)NC3CCCC3)C)NC(=O)CC(=O)O

InChI

InChI=1S/C22H26N2O7S/c1-13-9-16(23-20(26)12-21(27)28)10-14(2)22(13)31-17-7-8-18(25)19(11-17)32(29,30)24-15-5-3-4-6-15/h7-11,15,24-25H,3-6,12H2,1-2H3,(H,23,26)(H,27,28)