2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(2-chloro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(3-nitrophenyl)acetamide CAS Name: 2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-nitrophenyl)acetamide Traditional Name: 2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)-N-(3-nitrophenyl)acetamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

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