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

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-pentan-1-ol Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-methyl-pentan-1-ol CAS Name: 2-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-methyl-1-pentanol IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methylpentan-1-ol Traditional Name: 2-amino-5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-methyl-pentan-1-ol Formula: C25H28ClNO2S MolecularWeight: 442.01332

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)(CO)N

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClNO2S/c1-25(27,18-28)14-6-9-20-12-13-23(16-24(20)26)30-22-11-5-10-21(15-22)29-17-19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16,28H,6,9,14,17-18,27H2,1H3