N-(2-cyanoethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-phenyl-acetamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N(CCC#N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N(CCC#N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c22-11-6-14-24(17-7-2-1-3-8-17)21(26)16-31-20-10-9-18(15-19(20)25(27)28)32(29,30)23-12-4-5-13-23/h1-3,7-10,15H,4-6,12-14,16H2