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

Systemtic Name: 2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]pent-4-yn-1-ol hydrochloride Openeye Name: 2-amino-2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]pent-4-yn-1-ol hydrochloride CAS Name: 2-amino-2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-4-pentyn-1-ol hydrochloride IUPAC Name: 2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]pent-4-yn-1-ol hydrochloride Traditional Name: 2-amino-2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]pent-4-yn-1-ol hydrochloride Formula: C27H29Cl2NO2S MolecularWeight: 502.49566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClNO2S.ClH/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;/h1,3-6,8-9,11-14,17-18,30H,7,10,15-16,19-20,29H2;1H