1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(cyanomethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(cyanomethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(cyanomethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(cyanomethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(cyanomethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)sulfonyl-N-[4-(cyanomethyl)phenyl]isonipecotamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O3S/c22-19-3-1-2-17(14-19)15-29(27,28)25-12-9-18(10-13-25)21(26)24-20-6-4-16(5-7-20)8-11-23/h1-7,14,18H,8-10,12-13,15H2,(H,24,26)