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

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methyl-N-methylsulfonyl-anilino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methyl-N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-4-methyl-anilino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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