[2-azanyl-4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-ethyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-ethylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-ethylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-ethyl-butyl] dihydrogen phosphate Formula: C25H29ClNO5PS MolecularWeight: 521.993221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(COP(=O)(O)O)N

Isomeric SMILES

CCC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(COP(=O)(O)O)N

InChI

InChI=1S/C25H29ClNO5PS/c1-2-25(27,18-32-33(28,29)30)14-13-20-11-12-23(16-24(20)26)34-22-10-6-9-21(15-22)31-17-19-7-4-3-5-8-19/h3-12,15-16H,2,13-14,17-18,27H2,1H3,(H2,28,29,30)