3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-5-(isopropylsulfamoyl)-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-[(3S)-2-oxo-3-azepanyl]-5-(propan-2-ylsulfamoyl)benzamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-[(3S)-2-oxoazepan-3-yl]-5-(propan-2-ylsulfamoyl)benzamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-5-(isopropylsulfamoyl)-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC3=C(C=C2)OCCO3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC3=C(C=C2)OCCO3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C25H32N4O6S/c1-16(2)29-36(32,33)20-13-18(24(30)28-21-5-3-4-8-26-25(21)31)12-19(14-20)27-15-17-6-7-22-23(11-17)35-10-9-34-22/h6-7,11-14,16,21,27,29H,3-5,8-10,15H2,1-2H3,(H,26,31)(H,28,30)/t21-/m0/s1