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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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