N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O6S/c1-17-12-18(2)14-19(13-17)26(11-5-8-24)23(28)16-33-22-7-6-20(15-21(22)27(29)30)34(31,32)25-9-3-4-10-25/h6-7,12-15H,3-5,9-11,16H2,1-2H3