1-(4-ethoxyphenyl)-N3-(4-morpholin-4-ylsulfonylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide

Systemtic Name: 1-(4-ethoxyphenyl)-N3-(4-morpholin-4-ylsulfonylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Openeye Name: 1-(4-ethoxyphenyl)-N3-(4-morpholinosulfonylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide CAS Name: 1-(4-ethoxyphenyl)-2-mercapto-N3-[4-(4-morpholinylsulfonyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide IUPAC Name: 1-(4-ethoxyphenyl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Traditional Name: 2-mercapto-N-(4-morpholinosulfonylphenyl)-1-p-phenetyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Formula: C27H28N5O6S2+ MolecularWeight: 582.67112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=[N+](C=C(C=C3)C(=O)N)C(=C2S)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=[N+](C=C(C=C3)C(=O)N)C(=C2S)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H27N5O6S2/c1-2-38-21-8-6-20(7-9-21)32-23-12-3-18(25(28)33)17-31(23)24(27(32)39)26(34)29-19-4-10-22(11-5-19)40(35,36)30-13-15-37-16-14-30/h3-12,17H,2,13-16H2,1H3,(H3-,28,29,33,34,39)/p+1