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

Systemtic Name: 2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-[3-(1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: 2-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]-1-[3-(1-hydroxyethyl)-1-piperidyl]prop-2-en-1-one CAS Name: 2-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-1-[3-(1-hydroxyethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: 2-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]-1-[3-(1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: 2-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]-1-[3-(1-hydroxyethyl)piperidino]prop-2-en-1-one Formula: C22H23BrClNO2S MolecularWeight: 480.84552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl)O

Isomeric SMILES

CC(C1CCCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl)O

InChI

InChI=1S/C22H23BrClNO2S/c1-14(22(27)25-11-5-6-17(13-25)15(2)26)16-9-10-21(19(24)12-16)28-20-8-4-3-7-18(20)23/h3-4,7-10,12,15,17,26H,1,5-6,11,13H2,2H3