7,8-dimethyl-4-[[(2-methyl-5-methylsulfonyl-phenyl)amino]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[(2-methyl-5-methylsulfonyl-phenyl)amino]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(2-methyl-5-methylsulfonyl-anilino)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[(2-methyl-5-methylsulfonylanilino)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(2-methyl-5-methylsulfonylanilino)methyl]chromen-2-one Traditional Name: 4-[(5-mesyl-2-methyl-anilino)methyl]-7,8-dimethyl-coumarin Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)S(=O)(=O)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)S(=O)(=O)C)C)C

InChI

InChI=1S/C20H21NO4S/c1-12-6-8-17-15(9-19(22)25-20(17)14(12)3)11-21-18-10-16(26(4,23)24)7-5-13(18)2/h5-10,21H,11H2,1-4H3