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

Systemtic Name: 7-ethyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[1-(4-mesylphenyl)ethylamino]methyl]coumarin Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC(C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC(C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO4S/c1-4-15-5-10-19-17(12-21(23)26-20(19)11-15)13-22-14(2)16-6-8-18(9-7-16)27(3,24)25/h5-12,14,22H,4,13H2,1-3H3