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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(4-besylpiperazino)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C22H24N2O5S/c1-2-16-12-19-17(13-22(26)29-21(19)14-20(16)25)15-23-8-10-24(11-9-23)30(27,28)18-6-4-3-5-7-18/h3-7,12-14,25H,2,8-11,15H2,1H3