ethyl 4-[2-[methylsulfonyl(phenyl)amino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[methylsulfonyl(phenyl)amino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-methylsulfonylanilino)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesylanilino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(=O)OCC)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(=O)OCC)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

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