ethyl 4-[2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[besyl-(4-bromobenzyl)amino]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(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O5S/c1-2-31-22(28)25-14-12-24(13-15-25)21(27)17-26(16-18-8-10-19(23)11-9-18)32(29,30)20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3