7,8-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C22H24N3O6S+ MolecularWeight: 458.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C22H23N3O6S/c1-15-7-8-18-17(13-21(26)31-22(18)16(15)2)14-23-9-11-24(12-10-23)32(29,30)20-6-4-3-5-19(20)25(27)28/h3-8,13H,9-12,14H2,1-2H3/p+1