3-[2-oxidanylidenepropyl-[3-[4-(2-sulfamoylphenyl)phenyl]propyl]amino]benzenecarboximidamide

Systemtic Name: 3-[2-oxidanylidenepropyl-[3-[4-(2-sulfamoylphenyl)phenyl]propyl]amino]benzenecarboximidamide Openeye Name: 3-[acetonyl-[3-[4-(2-sulfamoylphenyl)phenyl]propyl]amino]benzamidine CAS Name: 3-[2-oxopropyl-[3-[4-(2-sulfamoylphenyl)phenyl]propyl]amino]benzenecarboximidamide IUPAC Name: 3-[2-oxopropyl-[3-[4-(2-sulfamoylphenyl)phenyl]propyl]amino]benzenecarboximidamide Traditional Name: 3-[acetonyl-[3-[4-(2-sulfamoylphenyl)phenyl]propyl]amino]benzamidine Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN(CCCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(=O)CN(CCCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H28N4O3S/c1-18(30)17-29(22-8-4-7-21(16-22)25(26)27)15-5-6-19-11-13-20(14-12-19)23-9-2-3-10-24(23)33(28,31)32/h2-4,7-14,16H,5-6,15,17H2,1H3,(H3,26,27)(H2,28,31,32)