2-[[[4-(1,4-diazepin-1-yl)phenyl]-methylsulfonyl-amino]methyl]-1-benzofuran-5-carboximidamide trihydrochloride

Systemtic Name: 2-[[[4-(1,4-diazepin-1-yl)phenyl]-methylsulfonyl-amino]methyl]-1-benzofuran-5-carboximidamide trihydrochloride Openeye Name: 2-[[4-(1,4-diazepin-1-yl)-N-methylsulfonyl-anilino]methyl]benzofuran-5-carboxamidine trihydrochloride CAS Name: 2-[[4-(1,4-diazepin-1-yl)-N-methylsulfonylanilino]methyl]-5-benzofurancarboximidamide trihydrochloride IUPAC Name: 2-[[4-(1,4-diazepin-1-yl)-N-methylsulfonylanilino]methyl]-1-benzofuran-5-carboximidamide trihydrochloride Traditional Name: 2-[[4-(1,4-diazepin-1-yl)-N-mesyl-anilino]methyl]benzofuran-5-carboxamidine trihydrochloride Formula: C22H24Cl3N5O3S MolecularWeight: 544.88166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC2=C(O1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4C=CC=NC=C4.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC2=C(O1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4C=CC=NC=C4.Cl.Cl.Cl

InChI

InChI=1S/C22H21N5O3S.3ClH/c1-31(28,29)27(15-20-14-17-13-16(22(23)24)3-8-21(17)30-20)19-6-4-18(5-7-19)26-11-2-9-25-10-12-26;;;/h2-14H,15H2,1H3,(H3,23,24);3*1H