2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]benzoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]benzoic acid Openeye Name: 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]benzoic acid CAS Name: 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]benzoic acid IUPAC Name: 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]benzoic acid Traditional Name: 2-[besyl-(4-bromobenzyl)amino]benzoic acid Formula: C20H16BrNO4S MolecularWeight: 446.31434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H16BrNO4S/c21-16-12-10-15(11-13-16)14-22(19-9-5-4-8-18(19)20(23)24)27(25,26)17-6-2-1-3-7-17/h1-13H,14H2,(H,23,24)