4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C23H27N4O6S+ MolecularWeight: 487.54868

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)N4CC(=O)NC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)N4CC(=O)NC5=CC=CC=C54)OC1

InChI

InChI=1S/C23H26N4O6S/c28-22-15-27(19-5-2-1-4-18(19)24-22)23(29)16-25-8-10-26(11-9-25)34(30,31)17-6-7-20-21(14-17)33-13-3-12-32-20/h1-2,4-7,14H,3,8-13,15-16H2,(H,24,28)/p+1