ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-(4-piperidinosulfonylphenyl)propanoylamino]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)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-2-30-22(27)24-16-12-19(13-17-24)23-21(26)11-8-18-6-9-20(10-7-18)31(28,29)25-14-4-3-5-15-25/h6-7,9-10,19H,2-5,8,11-17H2,1H3,(H,23,26)