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

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(2-cyanoethyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-(p-tolyl)acetamide Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c1-17-5-7-18(8-6-17)25(14-4-11-23)22(27)16-32-21-10-9-19(15-20(21)26(28)29)33(30,31)24-12-2-3-13-24/h5-10,15H,2-4,12-14,16H2,1H3