3-(1H-indol-3-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(1H-indol-3-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(1H-indol-3-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(1H-indol-3-yl)propyl ester IUPAC Name: 3-(1H-indol-3-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(1H-indol-3-yl)propyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H19NO3S/c1-14-8-10-16(11-9-14)23(20,21)22-12-4-5-15-13-19-18-7-3-2-6-17(15)18/h2-3,6-11,13,19H,4-5,12H2,1H3