ethyl 4-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-chloro-N-mesyl-4-methoxy-anilino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26ClN3O6S MolecularWeight: 447.93354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O6S/c1-5-28-18(24)21-10-8-20(9-11-21)17(23)13(2)22(29(4,25)26)14-6-7-16(27-3)15(19)12-14/h6-7,12-13H,5,8-11H2,1-4H3