[(Z,4S)-2-bromanyl-4-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-5-phenyl-pent-2-enyl] methanesulfonate

Systemtic Name: [(Z,4S)-2-bromanyl-4-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-5-phenyl-pent-2-enyl] methanesulfonate Openeye Name: [(Z,4S)-2-bromo-4-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-5-phenyl-pent-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(Z,4S)-2-bromo-4-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-5-phenylpent-2-enyl] ester IUPAC Name: [(Z,4S)-2-bromo-4-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-5-phenylpent-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(Z,4S)-2-bromo-4-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-5-phenyl-pent-2-enyl] ester Formula: C22H28BrNO6S2 MolecularWeight: 546.49482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC=C2)C=C(COS(=O)(=O)C)Br)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N[C@@H](CC2=CC=CC=C2)/C=C(/COS(=O)(=O)C)\Br)C)C)OC

InChI

InChI=1S/C22H28BrNO6S2/c1-15-11-21(29-4)16(2)17(3)22(15)32(27,28)24-20(12-18-9-7-6-8-10-18)13-19(23)14-30-31(5,25)26/h6-11,13,20,24H,12,14H2,1-5H3/b19-13-/t20-/m0/s1