2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O7S/c1-2-7-17-16(22)18-15(21)11-27-14-6-5-12(10-13(14)20(23)24)28(25,26)19-8-3-4-9-19/h2,5-6,10H,1,3-4,7-9,11H2,(H2,17,18,21,22)