1-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-4-[(E)-2-dimethoxyphosphorylethenyl]heptan-4-amine

Systemtic Name: 1-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-4-[(E)-2-dimethoxyphosphorylethenyl]heptan-4-amine Openeye Name: 1-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-4-[(E)-2-dimethoxyphosphorylvinyl]heptan-4-amine CAS Name: 1-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-4-[(E)-2-dimethoxyphosphorylethenyl]-4-heptanamine IUPAC Name: 1-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-4-[(E)-2-dimethoxyphosphorylethenyl]heptan-4-amine Traditional Name: [(E)-1-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]-3-dimethoxyphosphoryl-1-propyl-allyl]amine Formula: C30H37ClNO4PS MolecularWeight: 574.110841

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C=CP(=O)(OC)OC)N

Isomeric SMILES

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(/C=C/P(=O)(OC)OC)N

InChI

InChI=1S/C30H37ClNO4PS/c1-4-17-30(32,19-20-37(33,34-2)35-3)18-9-12-25-15-16-28(22-29(25)31)38-27-14-8-13-26(21-27)36-23-24-10-6-5-7-11-24/h5-8,10-11,13-16,19-22H,4,9,12,17-18,23,32H2,1-3H3/b20-19+