[2-methoxy-6-[(Z,2R)-2-[(2-nitrophenyl)sulfonylamino]-8-oxidanyl-oct-3-enyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-6-[(Z,2R)-2-[(2-nitrophenyl)sulfonylamino]-8-oxidanyl-oct-3-enyl]phenyl] methanesulfonate Openeye Name: [2-[(Z,2R)-8-hydroxy-2-[(2-nitrophenyl)sulfonylamino]oct-3-enyl]-6-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(Z,2R)-8-hydroxy-2-[(2-nitrophenyl)sulfonylamino]oct-3-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-[(Z,2R)-8-hydroxy-2-[(2-nitrophenyl)sulfonylamino]oct-3-enyl]-6-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(Z,2R)-8-hydroxy-2-[(2-nitrophenyl)sulfonylamino]oct-3-enyl]-6-methoxy-phenyl] ester Formula: C22H28N2O9S2 MolecularWeight: 528.59572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OS(=O)(=O)C)CC(C=CCCCCO)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OS(=O)(=O)C)C[C@H](/C=C\CCCCO)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O9S2/c1-32-20-13-9-10-17(22(20)33-34(2,28)29)16-18(11-5-3-4-8-15-25)23-35(30,31)21-14-7-6-12-19(21)24(26)27/h5-7,9-14,18,23,25H,3-4,8,15-16H2,1-2H3/b11-5-/t18-/m0/s1