3-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzonitrile CAS Name: 3-[(E)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]prop-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-3-(4-pyrrolidinosulfonylphenyl)prop-1-enyl]benzonitrile Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N2O3S/c21-15-17-5-3-4-16(14-17)6-11-20(23)18-7-9-19(10-8-18)26(24,25)22-12-1-2-13-22/h3-11,14H,1-2,12-13H2/b11-6+