4-[[(4-chlorophenyl)-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-chlorophenyl)-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[(4-chloro-N-methylsulfonyl-anilino)methyl]benzoic acid CAS Name: 4-[(4-chloro-N-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(4-chloro-N-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(4-chloro-N-mesyl-anilino)methyl]benzoic acid Formula: C15H14ClNO4S MolecularWeight: 339.79396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)Cl

InChI

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