5-bromanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzofuran-2-carboxamide CAS Name: 5-bromo-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-(4-piperidinosulfonylbenzyl)coumarilamide Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H21BrN2O4S/c22-17-6-9-19-16(12-17)13-20(28-19)21(25)23-14-15-4-7-18(8-5-15)29(26,27)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11,14H2,(H,23,25)