3-[[[3-methyl-4-(4-phenoxyphenyl)phenyl]methylsulfonylamino]methyl]benzoic acid

Systemtic Name: 3-[[[3-methyl-4-(4-phenoxyphenyl)phenyl]methylsulfonylamino]methyl]benzoic acid Openeye Name: 3-[[[3-methyl-4-(4-phenoxyphenyl)phenyl]methylsulfonylamino]methyl]benzoic acid CAS Name: 3-[[[3-methyl-4-(4-phenoxyphenyl)phenyl]methylsulfonylamino]methyl]benzoic acid IUPAC Name: 3-[[[3-methyl-4-(4-phenoxyphenyl)phenyl]methylsulfonylamino]methyl]benzoic acid Traditional Name: 3-[[[3-methyl-4-(4-phenoxyphenyl)benzyl]sulfonylamino]methyl]benzoic acid Formula: C28H25NO5S MolecularWeight: 487.5668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CS(=O)(=O)NCC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CS(=O)(=O)NCC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25NO5S/c1-20-16-22(19-35(32,33)29-18-21-6-5-7-24(17-21)28(30)31)10-15-27(20)23-11-13-26(14-12-23)34-25-8-3-2-4-9-25/h2-17,29H,18-19H2,1H3,(H,30,31)