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

Systemtic Name: 4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazino]methyl]-7-methyl-coumarin Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C23H24N2O5S/c1-16-6-7-21-19(14-23(27)30-22(21)12-16)15-24-8-10-25(11-9-24)31(28,29)20-5-3-4-18(13-20)17(2)26/h3-7,12-14H,8-11,15H2,1-2H3