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

Systemtic Name: 8-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C22H25N2O5S+ MolecularWeight: 429.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

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