methyl (2S)-2-[(2-bromanyl-4-fluoranyl-phenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-bromanyl-4-fluoranyl-phenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[allyl-(2-bromo-4-fluoro-phenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[(2-bromo-4-fluorophenyl)sulfonyl-prop-2-enylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-bromo-4-fluorophenyl)sulfonyl-prop-2-enylamino]-3-methylbutanoate Traditional Name: (2S)-2-[allyl-(2-bromo-4-fluoro-phenyl)sulfonyl-amino]-3-methyl-butyric acid methyl ester Formula: C15H19BrFNO4S MolecularWeight: 408.283063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC=C)S(=O)(=O)C1=C(C=C(C=C1)F)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC=C)S(=O)(=O)C1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C15H19BrFNO4S/c1-5-8-18(14(10(2)3)15(19)22-4)23(20,21)13-7-6-11(17)9-12(13)16/h5-7,9-10,14H,1,8H2,2-4H3/t14-/m0/s1