2-(furan-3-ylmethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(furan-3-ylmethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-2-(3-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 2-(3-furanylmethylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-2-(furan-3-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-2-(3-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H18N2O5S/c20-27(24,25)18-10-16(19(22)23)17(21-11-14-6-7-26-12-14)9-15(18)8-13-4-2-1-3-5-13/h1-7,9-10,12,21H,8,11H2,(H,22,23)(H2,20,24,25)