8-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-8-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylchromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-[(4-tosylpiperazino)methyl]chromone Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H26N2O5S/c1-19-7-9-21(10-8-19)35(32,33)29-15-13-28(14-16-29)17-23-25(30)12-11-22-26(31)24(18-34-27(22)23)20-5-3-2-4-6-20/h2-12,18,30H,13-17H2,1H3