methyl 2-[2-(1-azanylcyclopentyl)-3-(4-fluorophenyl)sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[2-(1-azanylcyclopentyl)-3-(4-fluorophenyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[2-(1-aminocyclopentyl)-3-(4-fluorophenyl)sulfonyl-phenyl]acetate CAS Name: 2-[2-(1-aminocyclopentyl)-3-(4-fluorophenyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-aminocyclopentyl)-3-(4-fluorophenyl)sulfonylphenyl]acetate Traditional Name: 2-[2-(1-aminocyclopentyl)-3-(4-fluorophenyl)sulfonyl-phenyl]acetic acid methyl ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F)C3(CCCC3)N

Isomeric SMILES

COC(=O)CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F)C3(CCCC3)N

InChI

InChI=1S/C20H22FNO4S/c1-26-18(23)13-14-5-4-6-17(19(14)20(22)11-2-3-12-20)27(24,25)16-9-7-15(21)8-10-16/h4-10H,2-3,11-13,22H2,1H3