methyl 4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(4-piperidinosulfonylphenyl)prop-1-enyl]benzoic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H23NO5S/c1-28-22(25)19-8-5-17(6-9-19)7-14-21(24)18-10-12-20(13-11-18)29(26,27)23-15-3-2-4-16-23/h5-14H,2-4,15-16H2,1H3/b14-7+