N-[2-(3-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

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