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

Systemtic Name: N-(2-methylsulfanylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S2/c1-29-18-7-3-2-6-15(18)20-19(23)13-28-17-9-8-14(12-16(17)22(24)25)30(26,27)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,20,23)