2-[2,3-bis(chloranyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: 2-[2,3-bis(chloranyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: 2-[2,3-dichloro-4-(2-methoxyphenyl)sulfanyl-phenyl]-1-(1-piperidyl)prop-2-en-1-one CAS Name: 2-[2,3-dichloro-4-[(2-methoxyphenyl)thio]phenyl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: 2-[2,3-dichloro-4-(2-methoxyphenyl)sulfanylphenyl]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: 2-[2,3-dichloro-4-[(2-methoxyphenyl)thio]phenyl]-1-piperidino-prop-2-en-1-one Formula: C21H21Cl2NO2S MolecularWeight: 422.36794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=C(C(=C(C=C2)C(=C)C(=O)N3CCCCC3)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1SC2=C(C(=C(C=C2)C(=C)C(=O)N3CCCCC3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO2S/c1-14(21(25)24-12-6-3-7-13-24)15-10-11-18(20(23)19(15)22)27-17-9-5-4-8-16(17)26-2/h4-5,8-11H,1,3,6-7,12-13H2,2H3