N-(3-chloranyl-4-propan-2-yloxy-phenyl)-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-propan-2-yloxy-phenyl)-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-chloro-4-isopropoxy-phenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-chloro-4-propan-2-yloxyphenyl)-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-chloro-4-propan-2-yloxyphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-chloro-4-isopropoxy-phenyl)-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H22ClFN2O4S/c1-13(2)28-18-8-6-15(12-16(18)21)23-20(25)14-5-7-17(22)19(11-14)29(26,27)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,25)