N-[3-(diethylsulfamoyl)phenyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-(diethylsulfamoyl)phenyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[3-(diethylsulfamoyl)phenyl]benzofuran-2-carboxamide CAS Name: N-[3-(diethylsulfamoyl)phenyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[3-(diethylsulfamoyl)phenyl]coumarilamide Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S2/c1-3-29(4-2)35(31,32)22-14-10-13-21(17-22)28-27(30)26-24(23-15-8-9-16-25(23)33-26)19-34-18-20-11-6-5-7-12-20/h5-17H,3-4,18-19H2,1-2H3,(H,28,30)