methyl (5S,6R)-5,7,7-trimethyl-6-(phenylsulfonylamino)oct-3-ynoate

Systemtic Name: methyl (5S,6R)-5,7,7-trimethyl-6-(phenylsulfonylamino)oct-3-ynoate Openeye Name: methyl (5S,6R)-6-(benzenesulfonamido)-5,7,7-trimethyl-oct-3-ynoate CAS Name: (5S,6R)-6-(benzenesulfonamido)-5,7,7-trimethyl-3-octynoic acid methyl ester IUPAC Name: methyl (5S,6R)-6-(benzenesulfonamido)-5,7,7-trimethyloct-3-ynoate Traditional Name: (5S,6R)-6-(benzenesulfonamido)-5,7,7-trimethyl-oct-3-ynoic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-14(10-9-13-16(20)23-5)17(18(2,3)4)19-24(21,22)15-11-7-6-8-12-15/h6-8,11-12,14,17,19H,13H2,1-5H3/t14-,17+/m0/s1