3-[methyl-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynyl]amino]benzenecarboximidamide

Systemtic Name: 3-[methyl-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynyl]amino]benzenecarboximidamide Openeye Name: 3-[methyl-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynyl]amino]benzamidine CAS Name: 3-[methyl-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynyl]amino]benzenecarboximidamide IUPAC Name: 3-[methyl-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynyl]amino]benzenecarboximidamide Traditional Name: 3-[methyl-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynyl]amino]benzamidine Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CN(CC#CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H22N4O2S/c1-27(20-8-4-7-19(16-20)23(24)25)15-5-6-17-11-13-18(14-12-17)21-9-2-3-10-22(21)30(26,28)29/h2-4,7-14,16H,15H2,1H3,(H3,24,25)(H2,26,28,29)