3-[(phenylmethyl)amino]-5-sulfamoyl-4-thiophen-2-yl-benzoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-5-sulfamoyl-4-thiophen-2-yl-benzoic acid Openeye Name: 3-(benzylamino)-5-sulfamoyl-4-(2-thienyl)benzoic acid CAS Name: 3-[(phenylmethyl)amino]-5-sulfamoyl-4-thiophen-2-ylbenzoic acid IUPAC Name: 3-(benzylamino)-5-sulfamoyl-4-thiophen-2-ylbenzoic acid Traditional Name: 3-(benzylamino)-5-sulfamoyl-4-(2-thienyl)benzoic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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)S(=O)(=O)N)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H16N2O4S2/c19-26(23,24)16-10-13(18(21)22)9-14(17(16)15-7-4-8-25-15)20-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,21,22)(H2,19,23,24)