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

Systemtic Name: 4-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]benzenesulfonic acid Openeye Name: 4-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]benzenesulfonic acid CAS Name: 4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]benzenesulfonic acid Traditional Name: 4-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]besylic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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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)/t13-/m0/s1