7,8-dimethyl-4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H22N2O5S2/c1-14-3-5-18-16(11-20(24)28-21(18)15(14)2)13-29-19-6-4-17(12-22-19)30(25,26)23-7-9-27-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3