4-[4-[(4-bromophenyl)-oxidanyl-phenyl-methyl]piperidin-1-yl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[4-[(4-bromophenyl)-oxidanyl-phenyl-methyl]piperidin-1-yl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[4-[(4-bromophenyl)-hydroxy-phenyl-methyl]-1-piperidyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[4-[(4-bromophenyl)-hydroxy-phenylmethyl]-1-piperidinyl]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[4-[(4-bromophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[4-[(4-bromophenyl)-hydroxy-phenyl-methyl]piperidino]-1-(2-thienyl)butan-1-one Formula: C26H28BrNO2S MolecularWeight: 498.47502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)O)CCCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)O)CCCC(=O)C4=CC=CS4

InChI

InChI=1S/C26H28BrNO2S/c27-23-12-10-21(11-13-23)26(30,20-6-2-1-3-7-20)22-14-17-28(18-15-22)16-4-8-24(29)25-9-5-19-31-25/h1-3,5-7,9-13,19,22,30H,4,8,14-18H2