2-(4-chloranyl-2-nitro-phenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(4-chloro-2-nitrophenoxy)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O6S/c19-13-6-7-17(16(10-13)22(24)25)28-12-18(23)20-14-4-3-5-15(11-14)29(26,27)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,23)