(4-bromanyl-2-chloranyl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-bromo-2-chloro-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]acetic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetic acid (4-bromo-2-chloro-phenyl) ester Formula: C16H12BrClN2O4S MolecularWeight: 443.69948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=C(C=C(C=C1)Br)Cl)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(CC(=O)OC1=C(C=C(C=C1)Br)Cl)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H12BrClN2O4S/c1-20(25(22,23)13-5-2-11(9-19)3-6-13)10-16(21)24-15-7-4-12(17)8-14(15)18/h2-8H,10H2,1H3