N-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-fluoranyl-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-fluoranyl-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-4-fluoro-N-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-4-fluoro-N-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22BrFN2O4S/c1-23(13-15-11-16(21)6-8-18(15)28-2)20(25)14-5-7-17(22)19(12-14)29(26,27)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13H2,1-2H3