ethyl 4-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26ClN3O5S MolecularWeight: 431.93414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O5S/c1-5-27-18(24)21-10-8-20(9-11-21)17(23)14(3)22(28(4,25)26)16-12-15(19)7-6-13(16)2/h6-7,12,14H,5,8-11H2,1-4H3