ethyl 4-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-2,5-dimethyl-anilino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-6-27-19(24)21-11-9-20(10-12-21)18(23)16(4)22(28(5,25)26)17-13-14(2)7-8-15(17)3/h7-8,13,16H,6,9-12H2,1-5H3