[(E,4S)-2-ethyl-5-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hex-2-enyl] methanesulfonate

Systemtic Name: [(E,4S)-2-ethyl-5-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hex-2-enyl] methanesulfonate Openeye Name: [(E,4S)-2-ethyl-5-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hex-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,4S)-2-ethyl-5-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hex-2-enyl] ester IUPAC Name: [(E,4S)-2-ethyl-5-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hex-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E,4S)-2-ethyl-4-(mesitylsulfonylamino)-5-methyl-hex-2-enyl] ester Formula: C19H31NO5S2 MolecularWeight: 417.58314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(C(C)C)NS(=O)(=O)C1=C(C=C(C=C1C)C)C)COS(=O)(=O)C

Isomeric SMILES

CC/C(=C\[C@H](C(C)C)NS(=O)(=O)C1=C(C=C(C=C1C)C)C)/COS(=O)(=O)C

InChI

InChI=1S/C19H31NO5S2/c1-8-17(12-25-26(7,21)22)11-18(13(2)3)20-27(23,24)19-15(5)9-14(4)10-16(19)6/h9-11,13,18,20H,8,12H2,1-7H3/b17-11+/t18-/m1/s1