2-(1H-indol-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1H-indol-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1H-indol-2-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1H-indol-2-yl)ethyl ester IUPAC Name: 2-(1H-indol-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1H-indol-2-yl)ethyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=CC=CC=C3N2

InChI

InChI=1S/C17H17NO3S/c1-13-6-8-16(9-7-13)22(19,20)21-11-10-15-12-14-4-2-3-5-17(14)18-15/h2-9,12,18H,10-11H2,1H3