(2-ethyl-3-methyl-1H-indol-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethyl-3-methyl-1H-indol-5-yl) 4-methylbenzenesulfonate Openeye Name: (2-ethyl-3-methyl-1H-indol-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-ethyl-3-methyl-1H-indol-5-yl) ester IUPAC Name: (2-ethyl-3-methyl-1H-indol-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-3-methyl-1H-indol-5-yl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=C(C2=C(N1)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C18H19NO3S/c1-4-17-13(3)16-11-14(7-10-18(16)19-17)22-23(20,21)15-8-5-12(2)6-9-15/h5-11,19H,4H2,1-3H3