N-(3,4-diethoxyphenyl)-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3,4-diethoxyphenyl)-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3,4-diethoxyphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3,4-diethoxyphenyl)-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3,4-diethoxyphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3,4-diethoxyphenyl)-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)OCC

InChI

InChI=1S/C21H25FN2O5S/c1-3-28-18-10-8-16(14-19(18)29-4-2)23-21(25)15-7-9-17(22)20(13-15)30(26,27)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)