8-methyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 8-methyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[1-(4-mesylphenyl)ethylamino]methyl]-8-methyl-coumarin Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CNC(C)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CNC(C)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C20H21NO5S/c1-12-18(22)9-8-17-15(10-19(23)26-20(12)17)11-21-13(2)14-4-6-16(7-5-14)27(3,24)25/h4-10,13,21-22H,11H2,1-3H3