(Z)-3-(dimethylamino)-2-(2-methylsulfonylphenyl)carbonyl-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(dimethylamino)-2-(2-methylsulfonylphenyl)carbonyl-3-oxidanyl-prop-2-enenitrile Openeye Name: (Z)-3-(dimethylamino)-3-hydroxy-2-(2-methylsulfonylbenzoyl)prop-2-enenitrile CAS Name: (Z)-3-(dimethylamino)-3-hydroxy-2-[(2-methylsulfonylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-(dimethylamino)-3-hydroxy-2-(2-methylsulfonylbenzoyl)prop-2-enenitrile Traditional Name: (Z)-3-(dimethylamino)-3-hydroxy-2-(2-mesylbenzoyl)acrylonitrile Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)C)O

Isomeric SMILES

CN(C)/C(=C(\C#N)/C(=O)C1=CC=CC=C1S(=O)(=O)C)/O

InChI

InChI=1S/C13H14N2O4S/c1-15(2)13(17)10(8-14)12(16)9-6-4-5-7-11(9)20(3,18)19/h4-7,17H,1-3H3/b13-10-