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

Systemtic Name: 4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-1-phosphonato-butan-2-amine Openeye Name: 4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-methyl-1-phosphonato-butan-2-amine CAS Name: 4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-methyl-1-phosphonato-2-butanamine IUPAC Name: 4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methyl-1-phosphonatobutan-2-amine Traditional Name: [3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1-methyl-1-(phosphonatomethyl)propyl]amine Formula: C24H25ClNO4PS-2 MolecularWeight: 489.951361

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CP(=O)([O-])[O-])N

Isomeric SMILES

CC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CP(=O)([O-])[O-])N

InChI

InChI=1S/C24H27ClNO4PS/c1-24(26,17-31(27,28)29)13-12-19-10-11-22(15-23(19)25)32-21-9-5-8-20(14-21)30-16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17,26H2,1H3,(H2,27,28,29)/p-2