8-methyl-7-oxidanyl-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(4-besylpiperazino)methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C21H22N2O5S/c1-15-19(24)8-7-18-16(13-20(25)28-21(15)18)14-22-9-11-23(12-10-22)29(26,27)17-5-3-2-4-6-17/h2-8,13,24H,9-12,14H2,1H3