3-cyanopropyl 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 3-cyanopropyl 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-4-piperidinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,6-dichlorophenyl)sulfonylisonipecotic acid 3-cyanopropyl ester Formula: C16H18Cl2N2O4S MolecularWeight: 405.29612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O4S/c17-13-4-3-5-14(18)15(13)25(22,23)20-9-6-12(7-10-20)16(21)24-11-2-1-8-19/h3-5,12H,1-2,6-7,9-11H2