2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfinylethanoyl-(3-chloranyl-4-fluoranyl-phenyl)amino]-N-tert-butyl-propanamide

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfinylethanoyl-(3-chloranyl-4-fluoranyl-phenyl)amino]-N-tert-butyl-propanamide Openeye Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfinylacetyl]-3-chloro-4-fluoro-anilino)-N-tert-butyl-propanamide CAS Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl-1-oxoethyl]-3-chloro-4-fluoroanilino)-N-tert-butylpropanamide IUPAC Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetyl]-3-chloro-4-fluoroanilino)-N-tert-butylpropanamide Traditional Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]sulfinylacetyl]-3-chloro-4-fluoro-anilino)-N-tert-butyl-propionamide Formula: C24H27ClFN3O6S MolecularWeight: 540.004083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N(C1=CC(=C(C=C1)F)Cl)C(=O)CS(=O)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NC(C)(C)C)N(C1=CC(=C(C=C1)F)Cl)C(=O)CS(=O)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H27ClFN3O6S/c1-14(23(32)28-24(2,3)4)29(16-6-7-18(26)17(25)10-16)22(31)12-36(33)11-21(30)27-15-5-8-19-20(9-15)35-13-34-19/h5-10,14H,11-13H2,1-4H3,(H,27,30)(H,28,32)