ethyl 4-[2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-bromo-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-bromo-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26BrN3O5S MolecularWeight: 524.42794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26BrN3O5S/c1-3-31-22(28)25-14-12-24(13-15-25)21(27)16-26(19-8-6-18(23)7-9-19)32(29,30)20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3