[(E,4S)-2-bromanyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate

Systemtic Name: [(E,4S)-2-bromanyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Openeye Name: [(E,4S)-2-bromo-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,4S)-2-bromo-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] ester IUPAC Name: [(E,4S)-2-bromo-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E,4S)-2-bromo-4-(mesitylsulfonylamino)-5-phenyl-pent-2-enyl] ester Formula: C21H26BrNO5S2 MolecularWeight: 516.46884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=CC=C2)C=C(COS(=O)(=O)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)/C=C(\COS(=O)(=O)C)/Br)C

InChI

InChI=1S/C21H26BrNO5S2/c1-15-10-16(2)21(17(3)11-15)30(26,27)23-20(12-18-8-6-5-7-9-18)13-19(22)14-28-29(4,24)25/h5-11,13,20,23H,12,14H2,1-4H3/b19-13+/t20-/m0/s1