(E)-3-azanyl-2-[2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonyl-N-methyl-prop-2-enamide

Systemtic Name: (E)-3-azanyl-2-[2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonyl-N-methyl-prop-2-enamide Openeye Name: (E)-3-amino-2-[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-benzoyl]-N-methyl-prop-2-enamide CAS Name: (E)-3-amino-2-[[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylphenyl]-oxomethyl]-N-methyl-2-propenamide IUPAC Name: (E)-3-amino-2-[2-chloro-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylbenzoyl]-N-methylprop-2-enamide Traditional Name: (E)-3-amino-2-[2-chloro-3-(2-isoxazolin-3-yl)-4-mesyl-benzoyl]-N-methyl-acrylamide Formula: C15H16ClN3O5S MolecularWeight: 385.82264

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CN)C(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NOCC2)Cl

Isomeric SMILES

CNC(=O)/C(=C/N)/C(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NOCC2)Cl

InChI

InChI=1S/C15H16ClN3O5S/c1-18-15(21)9(7-17)14(20)8-3-4-11(25(2,22)23)12(13(8)16)10-5-6-24-19-10/h3-4,7H,5-6,17H2,1-2H3,(H,18,21)/b9-7+