N-(2-chloranyl-5-nitro-phenyl)-4-methoxy-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methoxy-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S/c1-28-17-7-5-13(11-14(17)18(23)21-8-2-3-9-21)29(26,27)20-16-10-12(22(24)25)4-6-15(16)19/h4-7,10-11,20H,2-3,8-9H2,1H3