4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[(4-tosylpiperazino)methyl]coumarin Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

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