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

Systemtic Name: 2-azanyl-4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-butan-1-ol hydrochloride Openeye Name: 2-amino-4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-methyl-butan-1-ol hydrochloride CAS Name: 2-amino-4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-methyl-1-butanol hydrochloride IUPAC Name: 2-amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methylbutan-1-ol hydrochloride Traditional Name: 2-amino-4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-methyl-butan-1-ol hydrochloride Formula: C24H27Cl2NO2S MolecularWeight: 464.44768

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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)(CO)N.Cl

Isomeric SMILES

CC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CO)N.Cl

InChI

InChI=1S/C24H26ClNO2S.ClH/c1-24(26,17-27)13-12-19-10-11-22(15-23(19)25)29-21-9-5-8-20(14-21)28-16-18-6-3-2-4-7-18;/h2-11,14-15,27H,12-13,16-17,26H2,1H3;1H