3-[(phenylmethyl)amino]-4-(phenylsulfinyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-4-(phenylsulfinyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(benzenesulfinyl)-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(benzenesulfinyl)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(benzenesulfinyl)-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(benzenesulfinyl)-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S2/c21-29(26,27)18-12-15(20(23)24)11-17(22-13-14-7-3-1-4-8-14)19(18)28(25)16-9-5-2-6-10-16/h1-12,22H,13H2,(H,23,24)(H2,21,26,27)