2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methyl-amino]benzoic acid Openeye Name: 2-[(2,5-dimethyl-3-thienyl)sulfonyl-methyl-amino]benzoic acid CAS Name: 2-[(2,5-dimethyl-3-thiophenyl)sulfonyl-methylamino]benzoic acid IUPAC Name: 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]benzoic acid Traditional Name: 2-[(2,5-dimethyl-3-thienyl)sulfonyl-methyl-amino]benzoic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H15NO4S2/c1-9-8-13(10(2)20-9)21(18,19)15(3)12-7-5-4-6-11(12)14(16)17/h4-8H,1-3H3,(H,16,17)