N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-pyrrol-2-yl]-2-fluoro-benzamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-2-pyrrolyl]-2-fluorobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propylpyrrol-2-yl]-2-fluorobenzamide Traditional Name: N-(3-besyl-4,5-dimethyl-1-propyl-pyrrol-2-yl)-2-fluoro-benzamide Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C1NC(=O)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCN1C(=C(C(=C1NC(=O)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H23FN2O3S/c1-4-14-25-16(3)15(2)20(29(27,28)17-10-6-5-7-11-17)21(25)24-22(26)18-12-8-9-13-19(18)23/h5-13H,4,14H2,1-3H3,(H,24,26)