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

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-bromobenzyl)-(4-chlorophenyl)sulfonyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25BrClN3O5S MolecularWeight: 558.873

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrClN3O5S/c1-2-32-22(29)26-13-11-25(12-14-26)21(28)16-27(15-17-3-5-18(23)6-4-17)33(30,31)20-9-7-19(24)8-10-20/h3-10H,2,11-16H2,1H3