6,7-dimethyl-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H22N2O4S2/c1-14-9-18-16(11-21(24)27-19(18)10-15(14)2)13-28-20-6-5-17(12-22-20)29(25,26)23-7-3-4-8-23/h5-6,9-12H,3-4,7-8,13H2,1-2H3