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

Systemtic Name: 4-[[(4-bromophenyl)-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[(4-bromo-N-methylsulfonyl-anilino)methyl]benzoic acid CAS Name: 4-[(4-bromo-N-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(4-bromo-N-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(4-bromo-N-mesyl-anilino)methyl]benzoic acid Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO4S/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)