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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O5S/c1-25-11-9-17(10-12-25)23-22(26)16-3-5-18(6-4-16)24-31(27,28)19-7-8-20-21(15-19)30-14-2-13-29-20/h3-8,15,17,24H,2,9-14H2,1H3,(H,23,26)/p+1