3-[methylsulfonyl(thiophen-2-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[methylsulfonyl(thiophen-2-ylmethyl)amino]benzoic acid Openeye Name: 3-[methylsulfonyl(2-thienylmethyl)amino]benzoic acid CAS Name: 3-[methylsulfonyl(thiophen-2-ylmethyl)amino]benzoic acid IUPAC Name: 3-[methylsulfonyl(thiophen-2-ylmethyl)amino]benzoic acid Traditional Name: 3-[mesyl(2-thenyl)amino]benzoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CS1)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CS1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c1-20(17,18)14(9-12-6-3-7-19-12)11-5-2-4-10(8-11)13(15)16/h2-8H,9H2,1H3,(H,15,16)