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

Systemtic Name: 4-phenoxy-3-[(phenylmethyl)amino]-5-sulfinamoyloxy-benzoic acid Openeye Name: 3-(benzylamino)-4-phenoxy-5-sulfinamoyloxy-benzoic acid CAS Name: 4-phenoxy-3-[(phenylmethyl)amino]-5-sulfinamoyloxybenzoic acid IUPAC Name: 3-(benzylamino)-4-phenoxy-5-sulfinamoyloxybenzoic acid Traditional Name: 3-(benzylamino)-4-phenoxy-5-sulfinamoyloxy-benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)OS(=O)N)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)OS(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S/c21-28(25)27-18-12-15(20(23)24)11-17(22-13-14-7-3-1-4-8-14)19(18)26-16-9-5-2-6-10-16/h1-12,22H,13,21H2,(H,23,24)