2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: 2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: 2-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]-1-[2-(hydroxymethyl)-1-piperidyl]prop-2-en-1-one CAS Name: 2-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-1-[2-(hydroxymethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: 2-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: 2-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]-1-(2-methylolpiperidino)prop-2-en-1-one Formula: C21H21BrClNO2S MolecularWeight: 466.81894

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)SC2=CC=CC=C2Br)Cl)C(=O)N3CCCCC3CO

Isomeric SMILES

C=C(C1=CC(=C(C=C1)SC2=CC=CC=C2Br)Cl)C(=O)N3CCCCC3CO

InChI

InChI=1S/C21H21BrClNO2S/c1-14(21(26)24-11-5-4-6-16(24)13-25)15-9-10-20(18(23)12-15)27-19-8-3-2-7-17(19)22/h2-3,7-10,12,16,25H,1,4-6,11,13H2