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

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC(C)(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC(C)(C)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-15-8-9-16(21-18(23)14-27-19(24)13-20(2,3)4)12-17(15)28(25,26)22-10-6-5-7-11-22/h8-9,12H,5-7,10-11,13-14H2,1-4H3,(H,21,23)