2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-[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=C(C=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

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