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

Systemtic Name: (2S)-2-azanyl-4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-butan-1-ol Openeye Name: (2S)-2-amino-4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-ethyl-butan-1-ol CAS Name: (2S)-2-amino-4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-ethyl-1-butanol IUPAC Name: (2S)-2-amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-ethylbutan-1-ol Traditional Name: (2S)-2-amino-4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-ethyl-butan-1-ol Formula: C25H28ClNO2S MolecularWeight: 442.01332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@](CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CO)N

InChI

InChI=1S/C25H28ClNO2S/c1-2-25(27,18-28)14-13-20-11-12-23(16-24(20)26)30-22-10-6-9-21(15-22)29-17-19-7-4-3-5-8-19/h3-12,15-16,28H,2,13-14,17-18,27H2,1H3/t25-/m0/s1