6,7-dimethyl-4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

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