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

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H28N2O5S/c1-4-30-22-17-19(7-11-21(22)29-3)8-12-23(26)24-13-15-25(16-14-24)31(27,28)20-9-5-18(2)6-10-20/h5-12,17H,4,13-16H2,1-3H3/b12-8+