[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzenesulfonate

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-[4-(2-pyridyl)piperazin-1-yl]sulfonylbenzenesulfonate CAS Name: 2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-[4-(2-pyridyl)piperazino]sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C26H32N6O7S2 MolecularWeight: 604.69828

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H32N6O7S2/c1-3-16-37-32(26(27)28)38-21-17-20(2)18-22(19-21)39-41(35,36)24-9-5-4-8-23(24)40(33,34)31-14-12-30(13-15-31)25-10-6-7-11-29-25/h4-11,17-19H,3,12-16H2,1-2H3,(H3,27,28)