5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-1-phosphonato-pentan-2-amine

Systemtic Name: 5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-1-phosphonato-pentan-2-amine Openeye Name: 5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-methyl-1-phosphonato-pentan-2-amine CAS Name: 5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-methyl-1-phosphonato-2-pentanamine IUPAC Name: 5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methyl-1-phosphonatopentan-2-amine Traditional Name: [4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1-methyl-1-(phosphonatomethyl)butyl]amine Formula: C25H27ClNO4PS-2 MolecularWeight: 503.977941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CP(=O)([O-])[O-])N

Isomeric SMILES

CC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CP(=O)([O-])[O-])N

InChI

InChI=1S/C25H29ClNO4PS/c1-25(27,18-32(28,29)30)14-6-9-20-12-13-23(16-24(20)26)33-22-11-5-10-21(15-22)31-17-19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16H,6,9,14,17-18,27H2,1H3,(H2,28,29,30)/p-2