N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(trifluoromethyl)benzenesulfonamide Formula: C17H16ClF3N2O4S2 MolecularWeight: 468.89815

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N2O4S2/c18-14-8-7-12(11-16(14)29(26,27)23-9-3-4-10-23)22-28(24,25)15-6-2-1-5-13(15)17(19,20)21/h1-2,5-8,11,22H,3-4,9-10H2