N-(2-chloranyl-5-nitro-phenyl)-4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-3-(2-ketopyrrolidino)-4-methoxy-benzenesulfonamide Formula: C17H16ClN3O6S MolecularWeight: 425.84344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCCC3=O

InChI

InChI=1S/C17H16ClN3O6S/c1-27-16-7-5-12(10-15(16)20-8-2-3-17(20)22)28(25,26)19-14-9-11(21(23)24)4-6-13(14)18/h4-7,9-10,19H,2-3,8H2,1H3