4-chloranyl-N-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(3-fluoro-4-pyrrolidino-phenyl)-3-nitro-benzenesulfonamide Formula: C16H15ClFN3O4S MolecularWeight: 399.824403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C16H15ClFN3O4S/c17-13-5-4-12(10-16(13)21(22)23)26(24,25)19-11-3-6-15(14(18)9-11)20-7-1-2-8-20/h3-6,9-10,19H,1-2,7-8H2