ethyl 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H33N3O5S2 MolecularWeight: 471.63382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)NS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)NS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H33N3O5S2/c1-5-29-21(26)24-11-8-17(9-12-24)22-20(25)18(10-13-30-4)23-31(27,28)19-14-15(2)6-7-16(19)3/h6-7,14,17-18,23H,5,8-13H2,1-4H3,(H,22,25)