2-(1H-indol-3-ylmethylsulfanyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1H-indol-3-ylmethylsulfanyl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1H-indol-3-ylmethylsulfanyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1H-indol-3-ylmethylthio)ethyl ester IUPAC Name: 2-(1H-indol-3-ylmethylsulfanyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1H-indol-3-ylmethylthio)ethyl ester Formula: C18H19NO3S2 MolecularWeight: 361.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCSCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCSCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H19NO3S2/c1-14-6-8-16(9-7-14)24(20,21)22-10-11-23-13-15-12-19-18-5-3-2-4-17(15)18/h2-9,12,19H,10-11,13H2,1H3