[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] (E)-pent-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] (E)-pent-2-enoate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC/C=C/C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5S/c1-2-3-9-18(22)25-14-17(21)19-10-12-20(13-11-19)26(23,24)15-16-7-5-4-6-8-16/h3-9H,2,10-15H2,1H3/b9-3+