[3-ethoxycarbonyl-1,2-dimethyl-5-oxidanyl-4-(phenylsulfonyl)indol-6-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-ethoxycarbonyl-1,2-dimethyl-5-oxidanyl-4-(phenylsulfonyl)indol-6-yl]methyl-dimethyl-azanium chloride Openeye Name: [4-(benzenesulfonyl)-3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-indol-6-yl]methyl-dimethyl-ammonium chloride CAS Name: [4-(benzenesulfonyl)-3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-6-indolyl]methyl-dimethylammonium chloride IUPAC Name: [4-(benzenesulfonyl)-3-ethoxycarbonyl-5-hydroxy-1,2-dimethylindol-6-yl]methyl-dimethylazanium chloride Traditional Name: (4-besyl-3-carbethoxy-5-hydroxy-1,2-dimethyl-indol-6-yl)methyl-dimethyl-ammonium chloride Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)C[NH+](C)C)O)S(=O)(=O)C3=CC=CC=C3)C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)C[NH+](C)C)O)S(=O)(=O)C3=CC=CC=C3)C)C.[Cl-]

InChI

InChI=1S/C22H26N2O5S.ClH/c1-6-29-22(26)18-14(2)24(5)17-12-15(13-23(3)4)20(25)21(19(17)18)30(27,28)16-10-8-7-9-11-16;/h7-12,25H,6,13H2,1-5H3;1H