(6-bromanylnaphthalen-2-yl) 2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (6-bromo-2-naphthyl) 2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(2-cyanophenyl)sulfonyl-methylamino]acetic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetic acid (6-bromo-2-naphthyl) ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H15BrN2O4S/c1-23(28(25,26)19-5-3-2-4-16(19)12-22)13-20(24)27-18-9-7-14-10-17(21)8-6-15(14)11-18/h2-11H,13H2,1H3