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

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

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

Isomeric SMILES

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

InChI

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