3-indol-1-ylpropyl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=CC3=CC=CC=C32

InChI

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