3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoylamino)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoylamino)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoylamino)-3-keto-propyl]benzamidine Formula: C25H32N6O6S MolecularWeight: 544.62318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H32N6O6S/c1-17(32)30-9-11-31(12-10-30)25(33)21(14-18-5-4-6-19(13-18)24(26)27)29-38(34,35)28-15-20-16-36-22-7-2-3-8-23(22)37-20/h2-8,13,20-21,28-29H,9-12,14-16H2,1H3,(H3,26,27)