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

Systemtic Name: 2-[[3,5-dimethyl-4-(4-oxidanyl-3-piperidin-1-ylsulfonyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[4-hydroxy-3-(1-piperidylsulfonyl)phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[4-hydroxy-3-(1-piperidinylsulfonyl)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(4-hydroxy-3-piperidin-1-ylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-(4-hydroxy-3-piperidinosulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCCC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCCC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C21H24N2O7S/c1-13-10-15(22-20(25)21(26)27)11-14(2)19(13)30-16-6-7-17(24)18(12-16)31(28,29)23-8-4-3-5-9-23/h6-7,10-12,24H,3-5,8-9H2,1-2H3,(H,22,25)(H,26,27)