4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 4-fluoro-3-(1-pyrrolidinylsulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 4-fluoro-3-pyrrolidinosulfonyl-N-(3,4,5-trimethoxybenzyl)benzamide Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25FN2O6S/c1-28-17-10-14(11-18(29-2)20(17)30-3)13-23-21(25)15-6-7-16(22)19(12-15)31(26,27)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,23,25)