methyl (5S,6R)-6-(2-bromophenyl)-5-methyl-6-(methylsulfonylamino)hex-3-ynoate

Systemtic Name: methyl (5S,6R)-6-(2-bromophenyl)-5-methyl-6-(methylsulfonylamino)hex-3-ynoate Openeye Name: methyl (5S,6R)-6-(2-bromophenyl)-6-(methanesulfonamido)-5-methyl-hex-3-ynoate CAS Name: (5S,6R)-6-(2-bromophenyl)-6-(methanesulfonamido)-5-methyl-3-hexynoic acid methyl ester IUPAC Name: methyl (5S,6R)-6-(2-bromophenyl)-6-(methanesulfonamido)-5-methylhex-3-ynoate Traditional Name: (5S,6R)-6-(2-bromophenyl)-6-(methanesulfonamido)-5-methyl-hex-3-ynoic acid methyl ester Formula: C15H18BrNO4S MolecularWeight: 388.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCC(=O)OC)C(C1=CC=CC=C1Br)NS(=O)(=O)C

Isomeric SMILES

C[C@@H](C#CCC(=O)OC)[C@H](C1=CC=CC=C1Br)NS(=O)(=O)C

InChI

InChI=1S/C15H18BrNO4S/c1-11(7-6-10-14(18)21-2)15(17-22(3,19)20)12-8-4-5-9-13(12)16/h4-5,8-9,11,15,17H,10H2,1-3H3/t11-,15+/m0/s1