[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dichlorophenyl)-2-propenoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dichlorophenyl)acrylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C16H18Cl2N2O5S MolecularWeight: 421.29552

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O5S/c1-26(23,24)20-8-6-19(7-9-20)15(21)11-25-16(22)5-3-12-2-4-13(17)14(18)10-12/h2-5,10H,6-9,11H2,1H3/b5-3+