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

Systemtic Name: 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenoxy]sulfonylphenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[2-[3-[amidino(propoxy)amino]oxy-5-methyl-phenoxy]sulfonylphenyl]sulfonylnipecotic acid Formula: C23H30N4O9S2 MolecularWeight: 570.6357

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O9S2/c1-3-11-34-27(23(24)25)35-18-12-16(2)13-19(14-18)36-38(32,33)21-9-5-4-8-20(21)37(30,31)26-10-6-7-17(15-26)22(28)29/h4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1-2H3,(H3,24,25)(H,28,29)