2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(1-naphthyl)acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(1-naphthyl)acetamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC5=CC=CC=C54)OC1

InChI

InChI=1S/C25H27N3O5S/c29-25(26-22-8-3-6-19-5-1-2-7-21(19)22)18-27-11-13-28(14-12-27)34(30,31)20-9-10-23-24(17-20)33-16-4-15-32-23/h1-3,5-10,17H,4,11-16,18H2,(H,26,29)/p+1