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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)OC)CS(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)OC)CS(=O)C4=CC=CC=C4

InChI

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