5-[[[3-(4-bromanylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride

Systemtic Name: 5-[[[3-(4-bromanylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[3-(4-bromophenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[3-(4-bromophenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[3-(4-bromophenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[3-(4-bromophenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C21H25BrClNO3S MolecularWeight: 486.8501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=C(C=C4)Br.Cl

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=C(C=C4)Br.Cl

InChI

InChI=1S/C21H24BrNO3S.ClH/c1-12-10-16-19(27-12)9-2-13(20(16)24)11-23-17-7-8-18(21(17)25)26-15-5-3-14(22)4-6-15;/h3-6,10,13,17-18,21,23,25H,2,7-9,11H2,1H3;1H