N-[2-chloranyl-5-oxidanyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[2-chloranyl-5-oxidanyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[2-chloro-5-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-(p-tolylsulfonyl)butanamide CAS Name: N-[2-chloro-5-hydroxy-4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]-2-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[2-chloro-5-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[2-chloro-5-hydroxy-4-[[(E)-3-phenylacryloyl]amino]phenyl]-2-tosyl-butyramide Formula: C26H25ClN2O5S MolecularWeight: 513.0051

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C=CC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)/C=C/C2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H25ClN2O5S/c1-3-24(35(33,34)19-12-9-17(2)10-13-19)26(32)29-21-16-23(30)22(15-20(21)27)28-25(31)14-11-18-7-5-4-6-8-18/h4-16,24,30H,3H2,1-2H3,(H,28,31)(H,29,32)/b14-11+