N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-2,5-dimethyl-furan-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-2,5-dimethyl-furan-3-carboxamide Openeye Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-2,5-dimethyl-furan-3-carboxamide CAS Name: N-[3-chloro-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-2,5-dimethyl-3-furancarboxamide IUPAC Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-2,5-dimethylfuran-3-carboxamide Traditional Name: N-[3-chloro-4-[(3-mesylbenzoyl)amino]phenyl]-2,5-dimethyl-3-furamide Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-12-9-17(13(2)29-12)21(26)23-15-7-8-19(18(22)11-15)24-20(25)14-5-4-6-16(10-14)30(3,27)28/h4-11H,1-3H3,(H,23,26)(H,24,25)