ethyl 1-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-[4-(diethylsulfamoyl)phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-[4-(diethylsulfamoyl)phenyl]acryloyl]nipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C21H30N2O5S/c1-4-23(5-2)29(26,27)19-12-9-17(10-13-19)11-14-20(24)22-15-7-8-18(16-22)21(25)28-6-3/h9-14,18H,4-8,15-16H2,1-3H3/b14-11+