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

Systemtic Name: N-[4-(2-azanylethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: N-[4-(2-aminoethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-[4-(2-aminoethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: N-[4-(2-aminoethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide dihydrochloride Traditional Name: N-amidino-N-[4-(2-aminoethyl)phenoxy]-3-mesyl-benzamide dihydrochloride Formula: C17H22Cl2N4O4S MolecularWeight: 449.35198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)CCN.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)CCN.Cl.Cl

InChI

InChI=1S/C17H20N4O4S.2ClH/c1-26(23,24)15-4-2-3-13(11-15)16(22)21(17(19)20)25-14-7-5-12(6-8-14)9-10-18;;/h2-8,11H,9-10,18H2,1H3,(H3,19,20);2*1H