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

Systemtic Name: (2-bromophenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2-bromophenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]acetic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetic acid (2-bromophenyl) ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC=CC=C1Br)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(CC(=O)OC1=CC=CC=C1Br)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13BrN2O4S/c1-19(11-16(20)23-15-5-3-2-4-14(15)17)24(21,22)13-8-6-12(10-18)7-9-13/h2-9H,11H2,1H3