N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionamide Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H20ClNO6S/c1-12-15-6-4-13(28-2)10-19(15)29-21(25)16(12)7-9-20(24)23-18-11-14(30(3,26)27)5-8-17(18)22/h4-6,8,10-11H,7,9H2,1-3H3,(H,23,24)