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

Systemtic Name: N-carbamimidoyl-N-[4-[2-(dimethylamino)ethanoylamino]phenoxy]-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-[[2-(dimethylamino)acetyl]amino]phenoxy]-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-carbamimidoyl-N-[4-[[2-(dimethylamino)-1-oxoethyl]amino]phenoxy]-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-[[2-(dimethylamino)acetyl]amino]phenoxy]-3-methylsulfonylbenzamide dihydrochloride Traditional Name: N-amidino-N-[4-[[2-(dimethylamino)acetyl]amino]phenoxy]-3-mesyl-benzamide dihydrochloride Formula: C19H25Cl2N5O5S MolecularWeight: 506.4033

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)NC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N.Cl.Cl

Isomeric SMILES

CN(C)CC(=O)NC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N.Cl.Cl

InChI

InChI=1S/C19H23N5O5S.2ClH/c1-23(2)12-17(25)22-14-7-9-15(10-8-14)29-24(19(20)21)18(26)13-5-4-6-16(11-13)30(3,27)28;;/h4-11H,12H2,1-3H3,(H3,20,21)(H,22,25);2*1H