2-[4-(dimethylsulfamoyl)-7-methoxy-2-methyl-3-phenylsulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(dimethylsulfamoyl)-7-methoxy-2-methyl-3-phenylsulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-(dimethylsulfamoyl)-7-methoxy-2-methyl-3-phenylsulfanyl-indol-1-yl]acetic acid CAS Name: 2-[4-(dimethylsulfamoyl)-7-methoxy-2-methyl-3-(phenylthio)-1-indolyl]acetic acid IUPAC Name: 2-[4-(dimethylsulfamoyl)-7-methoxy-2-methyl-3-phenylsulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-(dimethylsulfamoyl)-7-methoxy-2-methyl-3-(phenylthio)indol-1-yl]acetic acid Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2N1CC(=O)O)OC)S(=O)(=O)N(C)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2N1CC(=O)O)OC)S(=O)(=O)N(C)C)SC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S2/c1-13-20(28-14-8-6-5-7-9-14)18-16(29(25,26)21(2)3)11-10-15(27-4)19(18)22(13)12-17(23)24/h5-11H,12H2,1-4H3,(H,23,24)