ethyl 2-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methyl-pentanoate CAS Name: 2-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanoate Traditional Name: 2-[brosyl-(2-fluorobenzyl)amino]-4-methyl-valeric acid ethyl ester Formula: C21H25BrFNO4S MolecularWeight: 486.394903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrFNO4S/c1-4-28-21(25)20(13-15(2)3)24(14-16-7-5-6-8-19(16)23)29(26,27)18-11-9-17(22)10-12-18/h5-12,15,20H,4,13-14H2,1-3H3