3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide Openeye Name: 3-(2,3-dihydrobenzofuran-5-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide CAS Name: 3-(2,3-dihydrobenzofuran-5-ylmethylamino)-N-[3-(1-imidazolyl)propyl]-5-(phenylsulfamoyl)benzamide IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide Traditional Name: 3-(coumaran-5-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-(phenylsulfamoyl)benzamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC3=CC(=CC(=C3)C(=O)NCCCN4C=CN=C4)S(=O)(=O)NC5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC3=CC(=CC(=C3)C(=O)NCCCN4C=CN=C4)S(=O)(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O4S/c34-28(30-10-4-12-33-13-11-29-20-33)23-16-25(31-19-21-7-8-27-22(15-21)9-14-37-27)18-26(17-23)38(35,36)32-24-5-2-1-3-6-24/h1-3,5-8,11,13,15-18,20,31-32H,4,9-10,12,14,19H2,(H,30,34)