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

Systemtic Name: 7-oxidanyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C22H23N2O5S+ MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S/c25-19-6-7-20-18(14-22(26)29-21(20)15-19)16-23-9-11-24(12-10-23)30(27,28)13-8-17-4-2-1-3-5-17/h1-8,13-15,25H,9-12,16H2/p+1/b13-8+