3-(1-benzofuran-2-ylmethylamino)-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide

Systemtic Name: 3-(1-benzofuran-2-ylmethylamino)-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide Openeye Name: 3-(benzofuran-2-ylmethylamino)-5-(isopropylsulfamoyl)-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-(2-benzofuranylmethylamino)-N-[(3S)-2-oxo-3-azepanyl]-5-(propan-2-ylsulfamoyl)benzamide IUPAC Name: 3-(1-benzofuran-2-ylmethylamino)-N-[(3S)-2-oxoazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide Traditional Name: 3-(benzofuran-2-ylmethylamino)-5-(isopropylsulfamoyl)-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC3=CC=CC=C3O2)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC3=CC=CC=C3O2)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C25H30N4O5S/c1-16(2)29-35(32,33)21-13-18(24(30)28-22-8-5-6-10-26-25(22)31)11-19(14-21)27-15-20-12-17-7-3-4-9-23(17)34-20/h3-4,7,9,11-14,16,22,27,29H,5-6,8,10,15H2,1-2H3,(H,26,31)(H,28,30)/t22-/m0/s1