ethyl 4-[2-[(5-chloranyl-2-methoxy-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-methoxy-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-5-chloro-2-methoxy-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-5-chloro-2-methoxy-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26ClN3O6S MolecularWeight: 495.97634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O6S/c1-3-32-22(28)25-13-11-24(12-14-25)21(27)16-26(19-15-17(23)9-10-20(19)31-2)33(29,30)18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3