4-methyl-7-[3-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[3-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-2-one Openeye Name: 7-[2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-methyl-chromen-2-one CAS Name: 7-[2-hydroxy-3-(4-methylsulfonyl-1-piperazinyl)propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-methylchromen-2-one Traditional Name: 7-[2-hydroxy-3-(4-mesylpiperazino)propoxy]-4-methyl-coumarin Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)S(=O)(=O)C)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)S(=O)(=O)C)O

InChI

InChI=1S/C18H24N2O6S/c1-13-9-18(22)26-17-10-15(3-4-16(13)17)25-12-14(21)11-19-5-7-20(8-6-19)27(2,23)24/h3-4,9-10,14,21H,5-8,11-12H2,1-2H3