ethyl 2-[(4-bromophenyl)sulfonyl-[(3-fluorophenyl)methyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(3-fluorophenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(3-fluorophenyl)methyl]amino]-4-methyl-pentanoate CAS Name: 2-[(4-bromophenyl)sulfonyl-[(3-fluorophenyl)methyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(3-fluorophenyl)methyl]amino]-4-methylpentanoate Traditional Name: 2-[brosyl-(3-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=C1)F)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(CC1=CC(=CC=C1)F)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

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