N-carbamimidoyl-N-[4-(ethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide; N-ethylethanamine; dihydrochloride

Systemtic Name: N-carbamimidoyl-N-[4-(ethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide; N-ethylethanamine; dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-(ethylsulfamoyl)phenoxy]-3-methylsulfonyl-benzamide; N-ethylethanamine; dihydrochloride CAS Name: N-carbamimidoyl-N-[4-(ethylsulfamoyl)phenoxy]-3-methylsulfonylbenzamide; N-ethylethanamine; dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-(ethylsulfamoyl)phenoxy]-3-methylsulfonylbenzamide; N-ethylethanamine; dihydrochloride Traditional Name: N-amidino-N-[4-(ethylsulfamoyl)phenoxy]-3-mesyl-benzamide; diethylamine; dihydrochloride Formula: C21H33Cl2N5O6S2 MolecularWeight: 586.55262

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCNS(=O)(=O)C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N.Cl.Cl

Isomeric SMILES

CCNCC.CCNS(=O)(=O)C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N.Cl.Cl

InChI

InChI=1S/C17H20N4O6S2.C4H11N.2ClH/c1-3-20-29(25,26)14-9-7-13(8-10-14)27-21(17(18)19)16(22)12-5-4-6-15(11-12)28(2,23)24;1-3-5-4-2;;/h4-11,20H,3H2,1-2H3,(H3,18,19);5H,3-4H2,1-2H3;2*1H