N-[1-benzofuran-2-yl(phenyl)methyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-benzofuran-2-yl(phenyl)methyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[benzofuran-2-yl(phenyl)methyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-benzofuranyl(phenyl)methyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-benzofuran-2-yl(phenyl)methyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[benzofuran-2-yl(phenyl)methyl]-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(C2=CC=CC=C2)C3=CC4=CC=CC=C4O3)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC(C2=CC=CC=C2)C3=CC4=CC=CC=C4O3)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H25N3O4S/c29-19-20-10-12-24(13-11-20)36(33,34)31-16-14-22(15-17-31)28(32)30-27(21-6-2-1-3-7-21)26-18-23-8-4-5-9-25(23)35-26/h1-13,18,22,27H,14-17H2,(H,30,32)