3-[(phenylmethylsulfanyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(phenylmethylsulfanyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[4-(1-piperidylsulfonyl)phenyl]benzofuran-2-carboxamide CAS Name: 3-[(phenylmethylthio)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(4-piperidinosulfonylphenyl)coumarilamide Formula: C28H28N2O4S2 MolecularWeight: 520.66292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O4S2/c31-28(29-22-13-15-23(16-14-22)36(32,33)30-17-7-2-8-18-30)27-25(24-11-5-6-12-26(24)34-27)20-35-19-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-20H2,(H,29,31)