[(2S,3R)-1-[(4-methoxyphenyl)amino]-2-methyl-1-oxidanylidene-oct-7-yn-3-yl] methanesulfonate

Systemtic Name: [(2S,3R)-1-[(4-methoxyphenyl)amino]-2-methyl-1-oxidanylidene-oct-7-yn-3-yl] methanesulfonate Openeye Name: [(1R)-1-[(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]hex-5-ynyl] methanesulfonate CAS Name: methanesulfonic acid [(2S,3R)-1-(4-methoxyanilino)-2-methyl-1-oxooct-7-yn-3-yl] ester IUPAC Name: [(2S,3R)-1-(4-methoxyanilino)-2-methyl-1-oxooct-7-yn-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1R)-1-[(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl]hex-5-ynyl] ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC#C)OS(=O)(=O)C)C(=O)NC1=CC=C(C=C1)OC

Isomeric SMILES

C[C@@H]([C@@H](CCCC#C)OS(=O)(=O)C)C(=O)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C17H23NO5S/c1-5-6-7-8-16(23-24(4,20)21)13(2)17(19)18-14-9-11-15(22-3)12-10-14/h1,9-13,16H,6-8H2,2-4H3,(H,18,19)/t13-,16+/m0/s1