cyanomethyl 3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoate

Systemtic Name: cyanomethyl 3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoate Openeye Name: cyanomethyl 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethyl-anilino)propanoate CAS Name: 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoate Traditional Name: 3-(N-brosyl-3,5-dimethyl-anilino)propionic acid cyanomethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c1-14-11-15(2)13-17(12-14)22(9-7-19(23)26-10-8-21)27(24,25)18-5-3-16(20)4-6-18/h3-6,11-13H,7,9-10H2,1-2H3