[3-(1H-indol-2-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(1H-indol-2-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-(1H-indol-2-yl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(1H-indol-2-yl)propyl] ester IUPAC Name: [2-hydroxy-3-(1H-indol-2-yl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(1H-indol-2-yl)propyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC3=CC=CC=C3N2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC3=CC=CC=C3N2)O

InChI

InChI=1S/C18H19NO4S/c1-13-6-8-17(9-7-13)24(21,22)23-12-16(20)11-15-10-14-4-2-3-5-18(14)19-15/h2-10,16,19-20H,11-12H2,1H3