N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-(4-methyl-1-piperidin-1-iumyl)propylsulfamoyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzamide Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H33N3O5S/c1-19-9-13-28(14-10-19)12-3-11-26-34(30,31)22-6-2-5-20(17-22)25(29)27-21-7-8-23-24(18-21)33-16-4-15-32-23/h2,5-8,17-19,26H,3-4,9-16H2,1H3,(H,27,29)/p+1