1-[2-[2-[carbamimidoyl(propoxy)amino]oxyphenoxy]sulfonylphenyl]sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[carbamimidoyl(propoxy)amino]oxyphenoxy]sulfonylphenyl]sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-[2-[2-[carbamimidoyl(propoxy)amino]oxyphenoxy]sulfonylphenyl]sulfonylpiperidine-2-carboxylic acid CAS Name: 1-[2-[2-[carbamimidoyl(propoxy)amino]oxyphenoxy]sulfonylphenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-[carbamimidoyl(propoxy)amino]oxyphenoxy]sulfonylphenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-[2-[2-[amidino(propoxy)amino]oxyphenoxy]sulfonylphenyl]sulfonylpipecolinic acid Formula: C22H28N4O9S2 MolecularWeight: 556.60912

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3C(=O)O

Isomeric SMILES

CCCON(C(=N)N)OC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H28N4O9S2/c1-2-15-33-26(22(23)24)34-17-10-3-4-11-18(17)35-37(31,32)20-13-6-5-12-19(20)36(29,30)25-14-8-7-9-16(25)21(27)28/h3-6,10-13,16H,2,7-9,14-15H2,1H3,(H3,23,24)(H,27,28)