4-[(4-aminophenyl)amino]-3-(oxolan-2-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-aminophenyl)amino]-3-(oxolan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-aminoanilino)-3-sulfamoyl-5-(tetrahydrofuran-2-ylmethylamino)benzoic acid CAS Name: 4-(4-aminoanilino)-3-(2-oxolanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-aminoanilino)-3-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminoanilino)-3-sulfamoyl-5-(tetrahydrofurfurylamino)benzoic acid Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=C(C=C3)N

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=C(C=C3)N

InChI

InChI=1S/C18H22N4O5S/c19-12-3-5-13(6-4-12)22-17-15(21-10-14-2-1-7-27-14)8-11(18(23)24)9-16(17)28(20,25)26/h3-6,8-9,14,21-22H,1-2,7,10,19H2,(H,23,24)(H2,20,25,26)