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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)O

InChI

InChI=1S/C22H24N2O5S2/c1-2-15-10-18-16(11-22(26)29-20(18)12-19(15)25)14-30-21-7-6-17(13-23-21)31(27,28)24-8-4-3-5-9-24/h6-7,10-13,25H,2-5,8-9,14H2,1H3