(2-ethyl-3-methyl-1H-indol-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethyl-3-methyl-1H-indol-7-yl) 4-methylbenzenesulfonate Openeye Name: (2-ethyl-3-methyl-1H-indol-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-ethyl-3-methyl-1H-indol-7-yl) ester IUPAC Name: (2-ethyl-3-methyl-1H-indol-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-3-methyl-1H-indol-7-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/c1-4-16-13(3)15-6-5-7-17(18(15)19-16)22-23(20,21)14-10-8-12(2)9-11-14/h5-11,19H,4H2,1-3H3