ethyl 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H33N3O5S/c1-4-30-22(27)24-11-9-19(10-12-24)23-21(26)18-7-13-25(14-8-18)31(28,29)20-6-5-16(2)17(3)15-20/h5-6,15,18-19H,4,7-14H2,1-3H3,(H,23,26)