4-[(E)-2-cyano-3-oxidanylidene-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[3-(1-piperidylsulfonyl)anilino]prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[3-(1-piperidinylsulfonyl)anilino]prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(3-piperidin-1-ylsulfonylanilino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(3-piperidinosulfonylanilino)prop-1-enyl]benzoate Formula: C22H20N3O5S- MolecularWeight: 438.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C22H21N3O5S/c23-15-18(13-16-7-9-17(10-8-16)22(27)28)21(26)24-19-5-4-6-20(14-19)31(29,30)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2,(H,24,26)(H,27,28)/p-1/b18-13+