3-[3-(4-ethanoylpiperazin-1-yl)-2-[2-(3-nitrophenyl)ethylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-2-[2-(3-nitrophenyl)ethylsulfamoylamino]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[2-(3-nitrophenyl)ethylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-[2-(3-nitrophenyl)ethylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[2-(3-nitrophenyl)ethylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-3-keto-2-[2-(3-nitrophenyl)ethylsulfamoylamino]propyl]benzamidine Formula: C24H31N7O6S MolecularWeight: 545.61124

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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=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H31N7O6S/c1-17(32)29-10-12-30(13-11-29)24(33)22(16-19-5-2-6-20(14-19)23(25)26)28-38(36,37)27-9-8-18-4-3-7-21(15-18)31(34)35/h2-7,14-15,22,27-28H,8-13,16H2,1H3,(H3,25,26)