3-[2-[(4-chloranyl-2-nitro-phenyl)methylsulfamoylamino]-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[2-[(4-chloranyl-2-nitro-phenyl)methylsulfamoylamino]-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(4-chloro-2-nitro-phenyl)methylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-[(4-chloro-2-nitrophenyl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[(4-chloro-2-nitrophenyl)methylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-2-[(4-chloro-2-nitro-benzyl)sulfamoylamino]-3-keto-propyl]benzamidine Formula: C23H28ClN7O6S MolecularWeight: 566.02972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H28ClN7O6S/c1-15(32)29-7-9-30(10-8-29)23(33)20(12-16-3-2-4-17(11-16)22(25)26)28-38(36,37)27-14-18-5-6-19(24)13-21(18)31(34)35/h2-6,11,13,20,27-28H,7-10,12,14H2,1H3,(H3,25,26)