N-[4-acetamido-2-(4-chloranylpyrazol-1-yl)-5-oxidanyl-phenyl]-2-methyl-3-(3-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[4-acetamido-2-(4-chloranylpyrazol-1-yl)-5-oxidanyl-phenyl]-2-methyl-3-(3-methylphenyl)sulfonyl-butanamide Openeye Name: N-[4-acetamido-2-(4-chloropyrazol-1-yl)-5-hydroxy-phenyl]-2-methyl-3-(m-tolylsulfonyl)butanamide CAS Name: N-[4-acetamido-2-(4-chloro-1-pyrazolyl)-5-hydroxyphenyl]-2-methyl-3-(3-methylphenyl)sulfonylbutanamide IUPAC Name: N-[4-acetamido-2-(4-chloropyrazol-1-yl)-5-hydroxyphenyl]-2-methyl-3-(3-methylphenyl)sulfonylbutanamide Traditional Name: N-[4-acetamido-2-(4-chloropyrazol-1-yl)-5-hydroxy-phenyl]-2-methyl-3-(m-tolylsulfonyl)butyramide Formula: C23H25ClN4O5S MolecularWeight: 504.9864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C(C)C(C)C(=O)NC2=CC(=C(C=C2N3C=C(C=N3)Cl)NC(=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C(C)C(C)C(=O)NC2=CC(=C(C=C2N3C=C(C=N3)Cl)NC(=O)C)O

InChI

InChI=1S/C23H25ClN4O5S/c1-13-6-5-7-18(8-13)34(32,33)15(3)14(2)23(31)27-19-10-22(30)20(26-16(4)29)9-21(19)28-12-17(24)11-25-28/h5-12,14-15,30H,1-4H3,(H,26,29)(H,27,31)