[2-oxidanyl-3-(propan-2-ylamino)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-3-(propan-2-ylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-(isopropylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(propan-2-ylamino)propyl] ester IUPAC Name: [2-hydroxy-3-(propan-2-ylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(isopropylamino)propyl] ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC(C)C)O

InChI

InChI=1S/C13H21NO4S/c1-10(2)14-8-12(15)9-18-19(16,17)13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3