4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylic acid Openeye Name: 4-(p-tolylsulfonyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylic acid CAS Name: 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylic acid Traditional Name: 4-tosyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C3CNCC3=CC(=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C3CNCC3=CC(=N2)C(=O)O

InChI

InChI=1S/C15H14N2O4S/c1-9-2-4-11(5-3-9)22(20,21)14-12-8-16-7-10(12)6-13(17-14)15(18)19/h2-6,16H,7-8H2,1H3,(H,18,19)