4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-propan-2-ylsulfanyl-benzoic acid

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-propan-2-ylsulfanyl-benzoic acid Openeye Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-2-isopropylsulfanyl-benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(propan-2-ylthio)benzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-propan-2-ylsulfanylbenzoic acid Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-2-(isopropylthio)benzoic acid Formula: C26H29NO3S MolecularWeight: 435.57836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC(C)SC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C26H29NO3S/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)