4-butyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid

Systemtic Name: 4-butyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid Openeye Name: 4-butyl-5-sulfamoyl-2-(2-thienylmethylamino)benzoic acid CAS Name: 4-butyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid IUPAC Name: 4-butyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid Traditional Name: 4-butyl-5-sulfamoyl-2-(2-thenylamino)benzoic acid Formula: C16H20N2O4S2 MolecularWeight: 368.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)NCC2=CC=CS2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)NCC2=CC=CS2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H20N2O4S2/c1-2-3-5-11-8-14(18-10-12-6-4-7-23-12)13(16(19)20)9-15(11)24(17,21)22/h4,6-9,18H,2-3,5,10H2,1H3,(H,19,20)(H2,17,21,22)