methyl 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[3-bromo-N-(p-tolylsulfonyl)anilino]acetate CAS Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetate Traditional Name: 2-(3-bromo-N-tosyl-anilino)acetic acid methyl ester 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)OC)C2=CC(=CC=C2)Br

Isomeric SMILES

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

InChI

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