2-[(3-bromanyl-2,4,6-trimethyl-phenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(3-bromanyl-2,4,6-trimethyl-phenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-2,4,6-trimethyl-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-3-bromo-2,4,6-trimethylanilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromo-2,4,6-trimethylanilino]acetic acid Traditional Name: 2-(N-besyl-3-bromo-2,4,6-trimethyl-anilino)acetic acid Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)C)Br)C

InChI

InChI=1S/C17H18BrNO4S/c1-11-9-12(2)17(13(3)16(11)18)19(10-15(20)21)24(22,23)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,20,21)