methyl 2-[3-(aminomethyl)-4-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-2-cyclopentyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-(aminomethyl)-4-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-2-cyclopentyl-phenyl]ethanoate Openeye Name: methyl 2-[3-(aminomethyl)-4-(4-chloro-2-fluoro-phenyl)sulfonyl-2-cyclopentyl-phenyl]acetate CAS Name: 2-[3-(aminomethyl)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-cyclopentylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(aminomethyl)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-cyclopentylphenyl]acetate Traditional Name: 2-[3-(aminomethyl)-4-(4-chloro-2-fluoro-phenyl)sulfonyl-2-cyclopentyl-phenyl]acetic acid methyl ester Formula: C21H23ClFNO4S MolecularWeight: 439.928023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)F)CN)C3CCCC3

Isomeric SMILES

COC(=O)CC1=C(C(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)F)CN)C3CCCC3

InChI

InChI=1S/C21H23ClFNO4S/c1-28-20(25)10-14-6-8-18(16(12-24)21(14)13-4-2-3-5-13)29(26,27)19-9-7-15(22)11-17(19)23/h6-9,11,13H,2-5,10,12,24H2,1H3