1H-indol-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1H-indol-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1H-indol-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1H-indol-2-ylmethyl ester IUPAC Name: 1H-indol-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1H-indol-2-ylmethyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC3=CC=CC=C3N2

InChI

InChI=1S/C16H15NO3S/c1-12-6-8-15(9-7-12)21(18,19)20-11-14-10-13-4-2-3-5-16(13)17-14/h2-10,17H,11H2,1H3