1-(4-chloranylindol-1-yl)-3-methoxy-2-methyl-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 1-(4-chloranylindol-1-yl)-3-methoxy-2-methyl-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-(4-chloroindol-1-yl)-3-methoxy-2-methyl-3-oxo-propane-1-sulfonic acid CAS Name: 1-(4-chloro-1-indolyl)-3-methoxy-2-methyl-3-oxo-1-propanesulfonic acid IUPAC Name: 1-(4-chloroindol-1-yl)-3-methoxy-2-methyl-3-oxopropane-1-sulfonic acid Traditional Name: 1-(4-chloroindol-1-yl)-3-keto-3-methoxy-2-methyl-propane-1-sulfonic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1C=CC2=C1C=CC=C2Cl)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

CC(C(N1C=CC2=C1C=CC=C2Cl)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C13H14ClNO5S/c1-8(13(16)20-2)12(21(17,18)19)15-7-6-9-10(14)4-3-5-11(9)15/h3-8,12H,1-2H3,(H,17,18,19)