indol-1-yl 4-methylbenzenesulfonate

Systemtic Name: indol-1-yl 4-methylbenzenesulfonate Openeye Name: indol-1-yl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-indolyl ester IUPAC Name: indol-1-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid indol-1-yl ester Formula: C15H13NO3S MolecularWeight: 287.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=CC3=CC=CC=C32

InChI

InChI=1S/C15H13NO3S/c1-12-6-8-14(9-7-12)20(17,18)19-16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3