2-[3-[[(4-imidazol-1-ylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-imidazol-1-ylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[benzenesulfonyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[benzenesulfonyl-[[4-(1-imidazolyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[benzenesulfonyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[besyl-(4-imidazol-1-ylbenzyl)amino]methyl]phenoxy]acetic acid Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)N3C=CN=C3)CC4=CC(=CC=C4)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)N3C=CN=C3)CC4=CC(=CC=C4)OCC(=O)O

InChI

InChI=1S/C25H23N3O5S/c29-25(30)18-33-23-6-4-5-21(15-23)17-28(34(31,32)24-7-2-1-3-8-24)16-20-9-11-22(12-10-20)27-14-13-26-19-27/h1-15,19H,16-18H2,(H,29,30)