[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CC(C)(C)C)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CC(C)(C)C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C20H30N2O6S/c1-5-27-16-9-8-15(12-17(16)29(25,26)22-10-6-7-11-22)21-18(23)14-28-19(24)13-20(2,3)4/h8-9,12H,5-7,10-11,13-14H2,1-4H3,(H,21,23)