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

Systemtic Name: 6,7-dimethyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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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)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C22H24N2O4S2/c1-15-10-19-17(12-22(25)28-20(19)11-16(15)2)14-29-21-7-6-18(13-23-21)30(26,27)24-8-4-3-5-9-24/h6-7,10-13H,3-5,8-9,14H2,1-2H3