ethyl 1-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-ethyl-3-morpholinosulfonyl-benzoyl)piperidine-3-carboxylate CAS Name: 1-[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-ethyl-3-morpholinosulfonyl-benzoyl)nipecotic acid ethyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(=O)OCC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(=O)OCC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H30N2O6S/c1-3-16-7-8-17(14-19(16)30(26,27)23-10-12-28-13-11-23)20(24)22-9-5-6-18(15-22)21(25)29-4-2/h7-8,14,18H,3-6,9-13,15H2,1-2H3