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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(2-ethanoylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(2-acetylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[(2-acetyl-1-piperazinyl)sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(2-acetylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(2-acetylpiperazino)sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C23H31N5O8S2 MolecularWeight: 569.65094

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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)N3CCNCC3C(=O)C

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCNCC3C(=O)C

InChI

InChI=1S/C23H31N5O8S2/c1-4-11-34-28(23(24)25)35-18-12-16(2)13-19(14-18)36-38(32,33)22-8-6-5-7-21(22)37(30,31)27-10-9-26-15-20(27)17(3)29/h5-8,12-14,20,26H,4,9-11,15H2,1-3H3,(H3,24,25)