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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H33N3O5S/c1-19-6-2-3-14-28(19)15-4-13-26-25(29)20-7-9-21(10-8-20)27-34(30,31)22-11-12-23-24(18-22)33-17-5-16-32-23/h7-12,18-19,27H,2-6,13-17H2,1H3,(H,26,29)/p+1/t19-/m0/s1