ethyl 4-[2-[(2,4-dichlorophenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,4-dichlorophenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,4-dichloro-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2,4-dichloro-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,4-dichloro-N-mesyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21Cl2N3O5S MolecularWeight: 438.32604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C

InChI

InChI=1S/C16H21Cl2N3O5S/c1-3-26-16(23)20-8-6-19(7-9-20)15(22)11-21(27(2,24)25)14-5-4-12(17)10-13(14)18/h4-5,10H,3,6-9,11H2,1-2H3