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

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]-3-fluoranyl-benzamide Openeye Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-pyrrol-2-yl]-3-fluoro-benzamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-2-pyrrolyl]-3-fluorobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propylpyrrol-2-yl]-3-fluorobenzamide Traditional Name: N-(3-besyl-4,5-dimethyl-1-propyl-pyrrol-2-yl)-3-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=C2)F)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

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

InChI

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