2-[2-methyl-4-(methylsulfonylamino)-3-quinolin-8-ylsulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-4-(methylsulfonylamino)-3-quinolin-8-ylsulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-(methanesulfonamido)-2-methyl-3-(8-quinolylsulfanyl)indol-1-yl]acetic acid CAS Name: 2-[4-(methanesulfonamido)-2-methyl-3-(8-quinolinylthio)-1-indolyl]acetic acid IUPAC Name: 2-[4-(methanesulfonamido)-2-methyl-3-quinolin-8-ylsulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-(methanesulfonamido)-2-methyl-3-(8-quinolylthio)indol-1-yl]acetic acid Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C)SC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C)SC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19N3O4S2/c1-13-21(29-17-10-3-6-14-7-5-11-22-20(14)17)19-15(23-30(2,27)28)8-4-9-16(19)24(13)12-18(25)26/h3-11,23H,12H2,1-2H3,(H,25,26)