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

Systemtic Name: 5-[[(2-oxidanyl-3-phenoxy-cyclopentyl)amino]methyl]-2-phenyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-2-phenyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-2-phenyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-2-phenyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-2-phenyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C26H28ClNO3S MolecularWeight: 470.02342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1NCC2CCC3=C(C2=O)C=C(S3)C4=CC=CC=C4)O)OC5=CC=CC=C5.Cl

Isomeric SMILES

C1CC(C(C1NCC2CCC3=C(C2=O)C=C(S3)C4=CC=CC=C4)O)OC5=CC=CC=C5.Cl

InChI

InChI=1S/C26H27NO3S.ClH/c28-25-18(11-14-23-20(25)15-24(31-23)17-7-3-1-4-8-17)16-27-21-12-13-22(26(21)29)30-19-9-5-2-6-10-19;/h1-10,15,18,21-22,26-27,29H,11-14,16H2;1H