3-[3-(4-ethanoylpiperazin-1-yl)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-3-keto-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethylsulfamoylamino]propyl]benzamidine Formula: C25H31N7O8S MolecularWeight: 589.62074

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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)NCCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C25H31N7O8S/c1-16(33)30-7-9-31(10-8-30)25(34)20(12-17-3-2-4-19(11-17)24(26)27)29-41(37,38)28-6-5-18-13-22-23(40-15-39-22)14-21(18)32(35)36/h2-4,11,13-14,20,28-29H,5-10,12,15H2,1H3,(H3,26,27)