[(Z)-2-bromanyl-6-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enyl] methanesulfonate

Systemtic Name: [(Z)-2-bromanyl-6-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enyl] methanesulfonate Openeye Name: [(Z)-2-bromo-6-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(Z)-2-bromo-6-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enyl] ester IUPAC Name: [(Z)-2-bromo-6-methyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(Z)-2-bromo-4-(mesitylsulfonylamino)-6-methyl-hept-2-enyl] ester Formula: C18H28BrNO5S2 MolecularWeight: 482.45262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC(C)C)C=C(COS(=O)(=O)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC(C)C)/C=C(/COS(=O)(=O)C)\Br)C

InChI

InChI=1S/C18H28BrNO5S2/c1-12(2)7-17(10-16(19)11-25-26(6,21)22)20-27(23,24)18-14(4)8-13(3)9-15(18)5/h8-10,12,17,20H,7,11H2,1-6H3/b16-10-