4-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]benzenesulfonate

Systemtic Name: 4-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]benzenesulfonate Openeye Name: 4-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]benzenesulfonate CAS Name: 4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]benzenesulfonate IUPAC Name: 4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]benzenesulfonate Traditional Name: 4-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]besylate Formula: C15H16NO5S- MolecularWeight: 322.35624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNC2=CC=C(C=C2)S(=O)(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@H](CNC2=CC=C(C=C2)S(=O)(=O)[O-])O

InChI

InChI=1S/C15H17NO5S/c17-13(11-21-14-4-2-1-3-5-14)10-16-12-6-8-15(9-7-12)22(18,19)20/h1-9,13,16-17H,10-11H2,(H,18,19,20)/p-1/t13-/m0/s1