(E)-N-[5-chloranyl-2-oxidanyl-4-[2-(phenylsulfonyl)butanoylamino]phenyl]-4-oxidanylidene-pent-2-enamide

Systemtic Name: (E)-N-[5-chloranyl-2-oxidanyl-4-[2-(phenylsulfonyl)butanoylamino]phenyl]-4-oxidanylidene-pent-2-enamide Openeye Name: (E)-N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxy-phenyl]-4-oxo-pent-2-enamide CAS Name: (E)-N-[4-[[2-(benzenesulfonyl)-1-oxobutyl]amino]-5-chloro-2-hydroxyphenyl]-4-oxo-2-pentenamide IUPAC Name: (E)-N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-4-oxopent-2-enamide Traditional Name: (E)-N-[4-(2-besylbutanoylamino)-5-chloro-2-hydroxy-phenyl]-4-keto-pent-2-enamide Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C=CC(=O)C)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)/C=C/C(=O)C)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21ClN2O6S/c1-3-19(31(29,30)14-7-5-4-6-8-14)21(28)24-16-12-18(26)17(11-15(16)22)23-20(27)10-9-13(2)25/h4-12,19,26H,3H2,1-2H3,(H,23,27)(H,24,28)/b10-9+