N-[2-chloranyl-4-(2-methylprop-2-enoylamino)-5-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[2-chloranyl-4-(2-methylprop-2-enoylamino)-5-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[2-chloro-5-hydroxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(p-tolylsulfonyl)butanamide CAS Name: N-[2-chloro-5-hydroxy-4-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]-2-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[2-chloro-5-hydroxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(2-chloro-5-hydroxy-4-methacrylamido-phenyl)-2-tosyl-butyramide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-5-19(30(28,29)14-8-6-13(4)7-9-14)21(27)23-16-11-18(25)17(10-15(16)22)24-20(26)12(2)3/h6-11,19,25H,2,5H2,1,3-4H3,(H,23,27)(H,24,26)