4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-nitro-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-nitro-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C17H16F3N3O4S MolecularWeight: 415.38685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O4S/c18-17(19,20)12-3-8-16(22-9-1-2-10-22)15(11-12)21-28(26,27)14-6-4-13(5-7-14)23(24)25/h3-8,11,21H,1-2,9-10H2