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

Systemtic Name: 8-methyl-7-oxidanyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)O

InChI

InChI=1S/C21H22N2O5S2/c1-14-18(24)7-6-17-15(11-20(25)28-21(14)17)13-29-19-8-5-16(12-22-19)30(26,27)23-9-3-2-4-10-23/h5-8,11-12,24H,2-4,9-10,13H2,1H3