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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(3,4-dichlorobenzyl)sulfonyl-nipecotamide Formula: C21H21Cl2N3O3S MolecularWeight: 466.38074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H21Cl2N3O3S/c22-19-8-5-16(12-20(19)23)14-30(28,29)26-11-1-2-17(13-26)21(27)25-18-6-3-15(4-7-18)9-10-24/h3-8,12,17H,1-2,9,11,13-14H2,(H,25,27)