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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-[4-(2-pyrimidyl)piperazino]sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C25H31N7O7S2 MolecularWeight: 605.68634

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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=NC=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=NC=CC=N4

InChI

InChI=1S/C25H31N7O7S2/c1-3-15-37-32(24(26)27)38-20-16-19(2)17-21(18-20)39-41(35,36)23-8-5-4-7-22(23)40(33,34)31-13-11-30(12-14-31)25-28-9-6-10-29-25/h4-10,16-18H,3,11-15H2,1-2H3,(H3,26,27)