3-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynylamino]benzenecarboximidamide dihydrochloride

Systemtic Name: 3-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynylamino]benzenecarboximidamide dihydrochloride Openeye Name: 3-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynylamino]benzamidine dihydrochloride CAS Name: 3-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynylamino]benzenecarboximidamide dihydrochloride IUPAC Name: 3-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynylamino]benzenecarboximidamide dihydrochloride Traditional Name: 3-[3-[4-(2-sulfamoylphenyl)phenyl]prop-2-ynylamino]benzamidine dihydrochloride Formula: C22H22Cl2N4O2S MolecularWeight: 477.40668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C#CCNC3=CC=CC(=C3)C(=N)N)S(=O)(=O)N.Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C#CCNC3=CC=CC(=C3)C(=N)N)S(=O)(=O)N.Cl.Cl

InChI

InChI=1S/C22H20N4O2S.2ClH/c23-22(24)18-6-3-7-19(15-18)26-14-4-5-16-10-12-17(13-11-16)20-8-1-2-9-21(20)29(25,27)28;;/h1-3,6-13,15,26H,14H2,(H3,23,24)(H2,25,27,28);2*1H