ethyl 4-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-3,4-dimethyl-anilino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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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)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-6-18(19(24)21-10-12-22(13-11-21)20(25)28-7-2)23(29(5,26)27)17-9-8-15(3)16(4)14-17/h8-9,14,18H,6-7,10-13H2,1-5H3