N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C27H25N5O3S/c28-17-22-8-4-5-9-25(22)36(34,35)32-14-12-20(13-15-32)27(33)31-26(19-6-2-1-3-7-19)21-10-11-23-24(16-21)30-18-29-23/h1-11,16,18,20,26H,12-15H2,(H,29,30)(H,31,33)