4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazino]methyl]-7-hydroxy-coumarin Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H22N2O6S/c1-15(25)16-3-2-4-19(11-16)31(28,29)24-9-7-23(8-10-24)14-17-12-22(27)30-21-13-18(26)5-6-20(17)21/h2-6,11-13,26H,7-10,14H2,1H3