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

Systemtic Name: [(2R)-3-(1H-indol-4-yloxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-hydroxy-3-(1H-indol-4-yloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-(1H-indol-4-yloxy)propyl] ester IUPAC Name: [(2R)-2-hydroxy-3-(1H-indol-4-yloxy)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-(1H-indol-4-yloxy)propyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=CC3=C2C=CN3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](COC2=CC=CC3=C2C=CN3)O

InChI

InChI=1S/C18H19NO5S/c1-13-5-7-15(8-6-13)25(21,22)24-12-14(20)11-23-18-4-2-3-17-16(18)9-10-19-17/h2-10,14,19-20H,11-12H2,1H3/t14-/m1/s1