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

Systemtic Name: 6-chloranyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[(4-tosylpiperazino)methyl]coumarin Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)O

InChI

InChI=1S/C21H21ClN2O5S/c1-14-2-4-16(5-3-14)30(27,28)24-8-6-23(7-9-24)13-15-10-21(26)29-20-12-19(25)18(22)11-17(15)20/h2-5,10-12,25H,6-9,13H2,1H3