N-(3-bromanyl-2-ethoxy-5-fluoranyl-phenyl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-bromanyl-2-ethoxy-5-fluoranyl-phenyl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-bromo-2-ethoxy-5-fluoro-phenyl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(3-bromo-2-ethoxy-5-fluorophenyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3-bromo-2-ethoxy-5-fluorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3-bromo-2-ethoxy-5-fluoro-phenyl)-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H24BrFN2O4S MolecularWeight: 499.393663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)F)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)F)Br

InChI

InChI=1S/C21H24BrFN2O4S/c1-3-29-20-17(22)12-16(23)13-18(20)24-21(26)15-8-7-14(2)19(11-15)30(27,28)25-9-5-4-6-10-25/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,26)