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

Systemtic Name: 7-methoxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C23H25N2O5S+ MolecularWeight: 441.52

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5S/c1-29-20-7-8-21-19(15-23(26)30-22(21)16-20)17-24-10-12-25(13-11-24)31(27,28)14-9-18-5-3-2-4-6-18/h2-9,14-16H,10-13,17H2,1H3/p+1/b14-9+