ethyl 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenoxy]sulfonylphenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[2-[3-[amidino(propoxy)amino]oxy-5-methyl-phenoxy]sulfonylphenyl]sulfonylnipecotic acid ethyl ester Formula: C25H34N4O9S2 MolecularWeight: 598.68886

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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)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C25H34N4O9S2/c1-4-13-36-29(25(26)27)37-20-14-18(3)15-21(16-20)38-40(33,34)23-11-7-6-10-22(23)39(31,32)28-12-8-9-19(17-28)24(30)35-5-2/h6-7,10-11,14-16,19H,4-5,8-9,12-13,17H2,1-3H3,(H3,26,27)