2-ethanimidoyl-3-oxidanylidene-4-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)butanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)butyronitrile Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CN1C=C(C=CC1=O)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CN1C=C(C=CC1=O)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C15H18N4O4S/c1-11(17)13(8-16)14(20)10-18-9-12(4-5-15(18)21)24(22,23)19-6-2-3-7-19/h4-5,9,13,17H,2-3,6-7,10H2,1H3