ethyl 5-methoxy-2-(phenylsulfinylmethyl)-1-(phenylsulfonyl)indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-2-(phenylsulfinylmethyl)-1-(phenylsulfonyl)indole-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinylmethyl)-1-(benzenesulfonyl)-5-methoxy-indole-3-carboxylate CAS Name: 2-(benzenesulfinylmethyl)-1-(benzenesulfonyl)-5-methoxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinylmethyl)-1-(benzenesulfonyl)-5-methoxyindole-3-carboxylate Traditional Name: 2-(benzenesulfinylmethyl)-1-besyl-5-methoxy-indole-3-carboxylic acid ethyl ester Formula: C25H23NO6S2 MolecularWeight: 497.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)CS(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)CS(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO6S2/c1-3-32-25(27)24-21-16-18(31-2)14-15-22(21)26(34(29,30)20-12-8-5-9-13-20)23(24)17-33(28)19-10-6-4-7-11-19/h4-16H,3,17H2,1-2H3