N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H25N4O5S+ MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC1

InChI

InChI=1S/C20H24N4O5S/c25-20(24-10-8-23(9-11-24)19-4-1-2-7-21-19)15-22-30(26,27)16-5-6-17-18(14-16)29-13-3-12-28-17/h1-2,4-7,14,22H,3,8-13,15H2/p+1