(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H27ClN2O5S/c1-4-31-23-20(24)15-18(16-21(23)30-3)7-10-22(27)25-11-13-26(14-12-25)32(28,29)19-8-5-17(2)6-9-19/h5-10,15-16H,4,11-14H2,1-3H3/b10-7+