2-[4-(cyclopentylamino)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[4-(cyclopentylamino)phenyl]sulfanyloctanoic acid Openeye Name: 2-[4-(cyclopentylamino)phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-(cyclopentylamino)phenyl]thio]octanoic acid IUPAC Name: 2-[4-(cyclopentylamino)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-(cyclopentylamino)phenyl]thio]caprylic acid Formula: C19H29NO2S MolecularWeight: 335.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NC2CCCC2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NC2CCCC2

InChI

InChI=1S/C19H29NO2S/c1-2-3-4-5-10-18(19(21)22)23-17-13-11-16(12-14-17)20-15-8-6-7-9-15/h11-15,18,20H,2-10H2,1H3,(H,21,22)