N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H18BrFN2O3S MolecularWeight: 441.314523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C18H18BrFN2O3S/c19-15-6-7-17(20)14(10-15)12-21-18(23)13-4-3-5-16(11-13)26(24,25)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9,12H2,(H,21,23)