[2-oxidanyl-3-(propan-2-ylamino)propyl] benzenesulfonate

Systemtic Name: [2-oxidanyl-3-(propan-2-ylamino)propyl] benzenesulfonate Openeye Name: [2-hydroxy-3-(isopropylamino)propyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-hydroxy-3-(propan-2-ylamino)propyl] ester IUPAC Name: [2-hydroxy-3-(propan-2-ylamino)propyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-hydroxy-3-(isopropylamino)propyl] ester Formula: C12H19NO4S MolecularWeight: 273.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4S/c1-10(2)13-8-11(14)9-17-18(15,16)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3