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

Systemtic Name: [(E,4S)-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Openeye Name: [(E,4S)-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,4S)-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] ester IUPAC Name: [(E,4S)-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E,4S)-4-(mesitylsulfonylamino)-5-phenyl-pent-2-enyl] ester Formula: C21H27NO5S2 MolecularWeight: 437.57278

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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=CCOS(=O)(=O)C)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)C

InChI

InChI=1S/C21H27NO5S2/c1-16-13-17(2)21(18(3)14-16)29(25,26)22-20(11-8-12-27-28(4,23)24)15-19-9-6-5-7-10-19/h5-11,13-14,20,22H,12,15H2,1-4H3/b11-8+/t20-/m1/s1