3-[5-[(4-fluorophenyl)sulfonylamino]-1,2-dimethyl-indol-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-1,2-dimethyl-indol-1-ium-1-yl]propanoic acid Openeye Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-1,2-dimethyl-indol-1-ium-1-yl]propanoic acid CAS Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-1,2-dimethyl-1-indol-1-iumyl]propanoic acid IUPAC Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-1,2-dimethylindol-1-ium-1-yl]propanoic acid Traditional Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-1,2-dimethyl-indol-1-ium-1-yl]propionic acid Formula: C19H20FN2O4S+ MolecularWeight: 391.436503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([N+]1(C)CCC(=O)O)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C([N+]1(C)CCC(=O)O)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O4S/c1-13-11-14-12-16(5-8-18(14)22(13,2)10-9-19(23)24)21-27(25,26)17-6-3-15(20)4-7-17/h3-8,11-12,21H,9-10H2,1-2H3/p+1