2-[4-chloranyl-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-c]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-c]pyridin-1-yl]ethanoic acid Openeye Name: 2-[4-chloro-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid CAS Name: 2-[4-chloro-2-methyl-3-[(4-methylsulfonylphenyl)thio]-1-pyrrolo[3,2-c]pyridinyl]acetic acid IUPAC Name: 2-[4-chloro-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpyrrolo[3,2-c]pyridin-1-yl]acetic acid Traditional Name: 2-[4-chloro-3-[(4-mesylphenyl)thio]-2-methyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid Formula: C17H15ClN2O4S2 MolecularWeight: 410.895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CN=C2Cl)SC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CN=C2Cl)SC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H15ClN2O4S2/c1-10-16(25-11-3-5-12(6-4-11)26(2,23)24)15-13(7-8-19-17(15)18)20(10)9-14(21)22/h3-8H,9H2,1-2H3,(H,21,22)