N-[1-(4-methylphenyl)propyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[1-(4-methylphenyl)propyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-[1-(p-tolyl)propyl]acetamide CAS Name: N-[1-(4-methylphenyl)propyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-[1-(p-tolyl)propyl]acetamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-3-19(17-8-6-16(2)7-9-17)23-22(26)15-31-21-11-10-18(14-20(21)25(27)28)32(29,30)24-12-4-5-13-24/h6-11,14,19H,3-5,12-13,15H2,1-2H3,(H,23,26)