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

Systemtic Name: 7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C23H25N2O4S+ MolecularWeight: 425.5206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4S/c1-18-7-8-21-20(16-23(26)29-22(21)15-18)17-24-10-12-25(13-11-24)30(27,28)14-9-19-5-3-2-4-6-19/h2-9,14-16H,10-13,17H2,1H3/p+1/b14-9+