ethyl 4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(E)-3-phenylacryloyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-2-29-22(26)19-9-11-20(12-10-19)30(27,28)24-16-14-23(15-17-24)21(25)13-8-18-6-4-3-5-7-18/h3-13H,2,14-17H2,1H3/b13-8+