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

Systemtic Name: 2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]-4-methyl-pentan-1-ol hydrochloride Openeye Name: 2-amino-2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]-4-methyl-pentan-1-ol hydrochloride CAS Name: 2-amino-2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-4-methyl-1-pentanol hydrochloride IUPAC Name: 2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]-4-methylpentan-1-ol hydrochloride Traditional Name: 2-amino-2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]-4-methyl-pentan-1-ol hydrochloride Formula: C28H35Cl2NO2S MolecularWeight: 520.554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClNO2S.ClH/c1-21(2)18-28(30,20-31)15-7-10-23-13-14-26(17-27(23)29)33-25-12-6-11-24(16-25)32-19-22-8-4-3-5-9-22;/h3-6,8-9,11-14,16-17,21,31H,7,10,15,18-20,30H2,1-2H3;1H