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

Systemtic Name: ethyl 4-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(E)-3-(2-chlorophenyl)acryloyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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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=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN2O5S/c1-2-30-22(27)18-7-10-19(11-8-18)31(28,29)25-15-13-24(14-16-25)21(26)12-9-17-5-3-4-6-20(17)23/h3-12H,2,13-16H2,1H3/b12-9+