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

Systemtic Name: 7-methyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]coumarin Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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