(E)-3-(2-methoxy-5-methyl-phenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N2O4S2/c1-15-5-7-17(25-2)16(14-15)6-8-18(22)20-9-11-21(12-10-20)27(23,24)19-4-3-13-26-19/h3-8,13-14H,9-12H2,1-2H3/b8-6+