N3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-(4-methoxyphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide

Systemtic Name: N3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-(4-methoxyphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Openeye Name: N3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-(4-methoxyphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide CAS Name: N3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-mercapto-1-(4-methoxyphenyl)imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide IUPAC Name: 3-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methoxyphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-mercapto-1-(4-methoxyphenyl)imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Formula: C25H26N5O5S2+ MolecularWeight: 540.63444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=C(N(C3=[N+]2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)OC)S

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=C(N(C3=[N+]2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)OC)S

InChI

InChI=1S/C25H25N5O5S2/c1-15-5-11-19(37(33,34)28(2)3)13-20(15)27-24(32)22-25(36)30(17-7-9-18(35-4)10-8-17)21-12-6-16(23(26)31)14-29(21)22/h5-14H,1-4H3,(H3-,26,27,31,32,36)/p+1