[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C18H25ClN2O6S MolecularWeight: 432.9189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H25ClN2O6S/c1-18(2,3)11-17(23)27-12-16(22)20-13-4-5-14(19)15(10-13)28(24,25)21-6-8-26-9-7-21/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,22)