N-[4-(cyanomethyl)phenyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(2,4-dichlorobenzyl)sulfonyl-isonipecotamide Formula: C21H21Cl2N3O3S MolecularWeight: 466.38074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O3S/c22-18-4-3-17(20(23)13-18)14-30(28,29)26-11-8-16(9-12-26)21(27)25-19-5-1-15(2-6-19)7-10-24/h1-6,13,16H,7-9,11-12,14H2,(H,25,27)