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

Systemtic Name: [(E,4R)-5-phenylmethoxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Openeye Name: [(E,4R)-5-benzyloxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,4R)-5-phenylmethoxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] ester IUPAC Name: [(E,4R)-5-phenylmethoxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E,4R)-5-benzoxy-4-(mesitylsulfonylamino)pent-2-enyl] ester Formula: C22H29NO6S2 MolecularWeight: 467.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(COCC2=CC=CC=C2)C=CCOS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](COCC2=CC=CC=C2)/C=C/COS(=O)(=O)C)C

InChI

InChI=1S/C22H29NO6S2/c1-17-13-18(2)22(19(3)14-17)31(26,27)23-21(11-8-12-29-30(4,24)25)16-28-15-20-9-6-5-7-10-20/h5-11,13-14,21,23H,12,15-16H2,1-4H3/b11-8+/t21-/m1/s1