[3-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-2-oxidanyl-propyl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-2-oxidanyl-propyl] 4-chloranylbenzenesulfonate Openeye Name: [2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]propyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl] ester IUPAC Name: [2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]propyl] ester Formula: C13H20ClNO5S MolecularWeight: 337.8196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NCC(COS(=O)(=O)C1=CC=C(C=C1)Cl)O

Isomeric SMILES

CC(C)(CO)NCC(COS(=O)(=O)C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C13H20ClNO5S/c1-13(2,9-16)15-7-11(17)8-20-21(18,19)12-5-3-10(14)4-6-12/h3-6,11,15-17H,7-9H2,1-2H3