N-carbamimidoyl-3-methylsulfonyl-N-[4-(1-oxidanyl-2-pyridin-2-ylsulfanyl-ethyl)phenoxy]benzamide dihydrochloride

Systemtic Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(1-oxidanyl-2-pyridin-2-ylsulfanyl-ethyl)phenoxy]benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-[1-hydroxy-2-(2-pyridylsulfanyl)ethyl]phenoxy]-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-carbamimidoyl-N-[4-[1-hydroxy-2-(2-pyridinylthio)ethyl]phenoxy]-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-(1-hydroxy-2-pyridin-2-ylsulfanylethyl)phenoxy]-3-methylsulfonylbenzamide dihydrochloride Traditional Name: N-amidino-N-[4-[1-hydroxy-2-(2-pyridylthio)ethyl]phenoxy]-3-mesyl-benzamide dihydrochloride Formula: C22H24Cl2N4O5S2 MolecularWeight: 559.48576

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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)C(CSC3=CC=CC=N3)O.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)C(CSC3=CC=CC=N3)O.Cl.Cl

InChI

InChI=1S/C22H22N4O5S2.2ClH/c1-33(29,30)18-6-4-5-16(13-18)21(28)26(22(23)24)31-17-10-8-15(9-11-17)19(27)14-32-20-7-2-3-12-25-20;;/h2-13,19,27H,14H2,1H3,(H3,23,24);2*1H