2-[(4-bromanyl-3-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[4-bromo-3-methyl-N-(p-tolylsulfonyl)anilino]acetic acid CAS Name: 2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid IUPAC Name: 2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid Traditional Name: 2-(4-bromo-3-methyl-N-tosyl-anilino)acetic acid Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO4S/c1-11-3-6-14(7-4-11)23(21,22)18(10-16(19)20)13-5-8-15(17)12(2)9-13/h3-9H,10H2,1-2H3,(H,19,20)