[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chlorophenyl)acrylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClNO5S/c23-20-7-3-2-6-17(20)10-13-22(26)29-16-21(25)18-8-11-19(12-9-18)30(27,28)24-14-4-1-5-15-24/h2-3,6-13H,1,4-5,14-16H2/b13-10+