4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(4-piperidinosulfonylphenyl)prop-1-enyl]benzoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c23-20(13-6-16-4-7-18(8-5-16)21(24)25)17-9-11-19(12-10-17)28(26,27)22-14-2-1-3-15-22/h4-13H,1-3,14-15H2,(H,24,25)/b13-6+