ethyl 4-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methyl-N-methylsulfonyl-anilino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methyl-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-4-methyl-anilino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-5-26-18(23)20-12-10-19(11-13-20)17(22)15(3)21(27(4,24)25)16-8-6-14(2)7-9-16/h6-9,15H,5,10-13H2,1-4H3