4-chloranyl-5-methylsulfonyl-2-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 4-chloranyl-5-methylsulfonyl-2-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-(benzylamino)-4-chloro-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-5-methylsulfonyl-2-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-(benzylamino)-4-chloro-5-methylsulfonylbenzoic acid Traditional Name: 2-(benzylamino)-4-chloro-5-mesyl-benzoic acid Formula: C15H14ClNO4S MolecularWeight: 339.79396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H14ClNO4S/c1-22(20,21)14-7-11(15(18)19)13(8-12(14)16)17-9-10-5-3-2-4-6-10/h2-8,17H,9H2,1H3,(H,18,19)