ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate chloride

Systemtic Name: ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate chloride Openeye Name: ethyl 2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate chloride CAS Name: 5-(4-methylphenyl)sulfonyloxy-2-(4-morpholin-4-iumylmethyl)-1-phenyl-3-indolecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester chloride Formula: C29H31ClN2O6S MolecularWeight: 571.08424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCOCC5.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCOCC5.[Cl-]

InChI

InChI=1S/C29H30N2O6S.ClH/c1-3-36-29(32)28-25-19-23(37-38(33,34)24-12-9-21(2)10-13-24)11-14-26(25)31(22-7-5-4-6-8-22)27(28)20-30-15-17-35-18-16-30;/h4-14,19H,3,15-18,20H2,1-2H3;1H