6-chloranyl-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-7-hydroxy-coumarin Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)O)C

InChI

InChI=1S/C22H23ClN2O5S/c1-14-3-4-17(9-15(14)2)31(28,29)25-7-5-24(6-8-25)13-16-10-22(27)30-21-12-20(26)19(23)11-18(16)21/h3-4,9-12,26H,5-8,13H2,1-2H3