5-methoxy-1-phenyl-3-(phenylsulfinyl)indole-2-carboxylic acid

Systemtic Name: 5-methoxy-1-phenyl-3-(phenylsulfinyl)indole-2-carboxylic acid Openeye Name: 3-(benzenesulfinyl)-5-methoxy-1-phenyl-indole-2-carboxylic acid CAS Name: 3-(benzenesulfinyl)-5-methoxy-1-phenyl-2-indolecarboxylic acid IUPAC Name: 3-(benzenesulfinyl)-5-methoxy-1-phenylindole-2-carboxylic acid Traditional Name: 3-(benzenesulfinyl)-5-methoxy-1-phenyl-indole-2-carboxylic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2S(=O)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2S(=O)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H17NO4S/c1-27-16-12-13-19-18(14-16)21(28(26)17-10-6-3-7-11-17)20(22(24)25)23(19)15-8-4-2-5-9-15/h2-14H,1H3,(H,24,25)