N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3-fluoranyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3-fluoranyl-4-methoxy-phenyl)propanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3-fluoro-4-methoxy-phenyl)propanamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(3-fluoro-4-methoxyphenyl)propanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-(3-fluoro-4-methoxy-phenyl)propionamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)F

InChI

InChI=1S/C20H22ClFN2O4S/c1-28-18-8-4-14(12-17(18)22)5-9-20(25)23-15-6-7-16(21)19(13-15)29(26,27)24-10-2-3-11-24/h4,6-8,12-13H,2-3,5,9-11H2,1H3,(H,23,25)