3-methylsulfonyl-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3-methylsulfonyl-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid Openeye Name: 3-(benzylamino)-5-methylsulfonyl-4-phenoxy-benzoic acid CAS Name: 3-methylsulfonyl-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid IUPAC Name: 3-(benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid Traditional Name: 3-(benzylamino)-5-mesyl-4-phenoxy-benzoic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19NO5S/c1-28(25,26)19-13-16(21(23)24)12-18(22-14-15-8-4-2-5-9-15)20(19)27-17-10-6-3-7-11-17/h2-13,22H,14H2,1H3,(H,23,24)