3-[[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-(phenylsulfonyl)amino]benzoic acid

Systemtic Name: 3-[[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-(phenylsulfonyl)amino]benzoic acid Openeye Name: 3-[benzenesulfonyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]benzoic acid CAS Name: 3-[benzenesulfonyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]benzoic acid IUPAC Name: 3-[benzenesulfonyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]benzoic acid Traditional Name: 3-[besyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]benzoic acid Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CN(C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](CN(C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C23H23NO7S/c1-30-20-10-12-21(13-11-20)31-16-19(25)15-24(18-7-5-6-17(14-18)23(26)27)32(28,29)22-8-3-2-4-9-22/h2-14,19,25H,15-16H2,1H3,(H,26,27)/t19-/m0/s1