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

Systemtic Name: [(E,4S)-2-methyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Openeye Name: [(E,4S)-2-methyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,4S)-2-methyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] ester IUPAC Name: [(E,4S)-2-methyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E,4S)-4-(mesitylsulfonylamino)-2-methyl-5-phenyl-pent-2-enyl] ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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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(C)COS(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S2/c1-16-11-18(3)22(19(4)12-16)30(26,27)23-21(14-20-9-7-6-8-10-20)13-17(2)15-28-29(5,24)25/h6-13,21,23H,14-15H2,1-5H3/b17-13+/t21-/m1/s1