N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfonyl)phenoxy]-3-methylsulfonyl-benzamide dihydrochloride

Systemtic Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfonyl)phenoxy]-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfonyl)phenoxy]-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfonyl)phenoxy]-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfonyl)phenoxy]-3-methylsulfonylbenzamide dihydrochloride Traditional Name: N-amidino-N-[4-(2-dimethylaminoethylsulfonyl)phenoxy]-3-mesyl-benzamide dihydrochloride Formula: C19H26Cl2N4O6S2 MolecularWeight: 541.46894

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCS(=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

CN(C)CCS(=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/C19H24N4O6S2.2ClH/c1-22(2)11-12-31(27,28)16-9-7-15(8-10-16)29-23(19(20)21)18(24)14-5-4-6-17(13-14)30(3,25)26;;/h4-10,13H,11-12H2,1-3H3,(H3,20,21);2*1H