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

Systemtic Name: N-[2-chloranyl-4-[[(E)-2-methyl-3-phenyl-prop-2-enoyl]amino]-5-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[2-chloro-5-hydroxy-4-[[(E)-2-methyl-3-phenyl-prop-2-enoyl]amino]phenyl]-2-(p-tolylsulfonyl)butanamide CAS Name: N-[2-chloro-5-hydroxy-4-[[(E)-2-methyl-1-oxo-3-phenylprop-2-enyl]amino]phenyl]-2-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[2-chloro-5-hydroxy-4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]phenyl]-2-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[2-chloro-5-hydroxy-4-[[(E)-2-methyl-3-phenyl-acryloyl]amino]phenyl]-2-tosyl-butyramide Formula: C27H27ClN2O5S MolecularWeight: 527.03168

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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)C)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)/C)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H27ClN2O5S/c1-4-25(36(34,35)20-12-10-17(2)11-13-20)27(33)29-22-16-24(31)23(15-21(22)28)30-26(32)18(3)14-19-8-6-5-7-9-19/h5-16,25,31H,4H2,1-3H3,(H,29,33)(H,30,32)/b18-14+