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

Systemtic Name: 6-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C23H27N2O5S+ MolecularWeight: 443.53588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C23H26N2O5S/c1-3-17-12-20-18(13-23(27)30-22(20)14-21(17)26)15-24-8-10-25(11-9-24)31(28,29)19-6-4-16(2)5-7-19/h4-7,12-14,26H,3,8-11,15H2,1-2H3/p+1