(E)-3-(3,4-diethoxyphenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]prop-2-en-1-one Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)OCC

InChI

InChI=1S/C22H28N2O5S2/c1-4-28-19-9-7-18(16-20(19)29-5-2)8-10-21(25)23-12-14-24(15-13-23)31(26,27)22-11-6-17(3)30-22/h6-11,16H,4-5,12-15H2,1-3H3/b10-8+