[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [(1S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [(1S)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C=CC3=CSC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C20H22N2O5S2/c1-16(27-19(23)8-7-17-9-14-28-15-17)20(24)21-10-12-22(13-11-21)29(25,26)18-5-3-2-4-6-18/h2-9,14-16H,10-13H2,1H3/b8-7+/t16-/m0/s1