1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(p-tolylsulfonyl)indoline-2-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-tosylindoline-2-carboxylic acid Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H15NO4S/c1-11-6-8-13(9-7-11)22(20,21)17-14-5-3-2-4-12(14)10-15(17)16(18)19/h2-9,15H,10H2,1H3,(H,18,19)