3-(2-methyl-1H-indol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methyl-1H-indol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methyl-1H-indol-3-yl)propane-1-sulfonic acid CAS Name: 3-(2-methyl-1H-indol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(2-methyl-1H-indol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2-methyl-1H-indol-3-yl)propane-1-sulfonic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CCCS(=O)(=O)O

InChI

InChI=1S/C12H15NO3S/c1-9-10(6-4-8-17(14,15)16)11-5-2-3-7-12(11)13-9/h2-3,5,7,13H,4,6,8H2,1H3,(H,14,15,16)