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

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-oxo-2-[4-(4-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-4-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-4-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=[NH+]C=C4)OC1

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c25-20(24-10-8-23(9-11-24)16-4-6-21-7-5-16)15-22-30(26,27)17-2-3-18-19(14-17)29-13-1-12-28-18/h2-7,14,22H,1,8-13,15H2/p+1