4-[4-(2-dimethylaminoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide dihydrochloride

Systemtic Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-[amino(methylimino)methyl]-4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-3-methylsulfonylbenzamide dihydrochloride Traditional Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-3-mesyl-N-(N'-methylamidino)benzamide dihydrochloride Formula: C20H28Cl2N4O4S MolecularWeight: 491.43172

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CCN(C)C)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CN=C(N)NC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CCN(C)C)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C20H26N4O4S.2ClH/c1-22-20(21)23-19(25)15-7-10-17(18(13-15)29(4,26)27)28-16-8-5-14(6-9-16)11-12-24(2)3;;/h5-10,13H,11-12H2,1-4H3,(H3,21,22,23,25);2*1H