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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3C(=O)O

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3C(=O)O

InChI

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