[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C=C/C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H22N2O5S/c1-2-5-20(24)27-15-19(23)21-10-12-22(13-11-21)28(25,26)18-9-8-16-6-3-4-7-17(16)14-18/h2-9,14H,10-13,15H2,1H3/b5-2+