(E)-3-azanyl-2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)acetyl]but-2-enenitrile Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CN1C=C(C=CC1=O)S(=O)(=O)N2CCCC2)/N

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/h4-5,9H,2-3,6-7,10,17H2,1H3/b13-11+