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

Systemtic Name: 7,8-dimethyl-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(4-besylpiperazino)methyl]-7,8-dimethyl-coumarin Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N2O4S/c1-16-8-9-20-18(14-21(25)28-22(20)17(16)2)15-23-10-12-24(13-11-23)29(26,27)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3