2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-propyl-pentan-1-ol

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-propyl-pentan-1-ol Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-propyl-pentan-1-ol CAS Name: 2-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-propyl-1-pentanol IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-propylpentan-1-ol Traditional Name: 2-amino-5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-propyl-pentan-1-ol Formula: C27H32ClNO2S MolecularWeight: 470.06648

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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)(CO)N

Isomeric SMILES

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CO)N

InChI

InChI=1S/C27H32ClNO2S/c1-2-15-27(29,20-30)16-7-10-22-13-14-25(18-26(22)28)32-24-12-6-11-23(17-24)31-19-21-8-4-3-5-9-21/h3-6,8-9,11-14,17-18,30H,2,7,10,15-16,19-20,29H2,1H3