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

Systemtic Name: ethyl 2-[[3,5-dimethyl-4-(4-oxidanyl-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[4-(4-hydroxy-3-pyrrolidin-1-ylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetate CAS Name: 2-[4-[4-hydroxy-3-(1-pyrrolidinylsulfonyl)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-hydroxy-3-pyrrolidin-1-ylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetate Traditional Name: 2-[4-(4-hydroxy-3-pyrrolidinosulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid ethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCC3)C

InChI

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