2-[3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]thio]phenyl]acetic acid Formula: C28H38N2O3S MolecularWeight: 482.67792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C28H38N2O3S/c1-2-3-4-5-9-18-30(28(33)29-23-13-7-6-8-14-23)24-15-11-17-26(21-24)34-25-16-10-12-22(19-25)20-27(31)32/h10-12,15-17,19,21,23H,2-9,13-14,18,20H2,1H3,(H,29,33)(H,31,32)