[(3R)-3-cyano-4-oxidanylidene-5-[4-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]carbonyloxy-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-4-oxidanylidene-5-[4-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]carbonyloxy-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-1-methylene-3-oxo-4-[4-[[(E)-styryl]sulfonylamino]benzoyl]oxy-butyl]ammonium CAS Name: [(3R)-3-cyano-4-oxo-5-[oxo-[4-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]methoxy]pent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-4-oxo-5-[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]oxypent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-2-keto-3-[4-[[(E)-styryl]sulfonylamino]benzoyl]oxy-propyl]vinylammonium Formula: C21H20N3O5S+ MolecularWeight: 426.4656

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C=C([C@H](C#N)C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C21H19N3O5S/c1-15(23)19(13-22)20(25)14-29-21(26)17-7-9-18(10-8-17)24-30(27,28)12-11-16-5-3-2-4-6-16/h2-12,19,24H,1,14,23H2/p+1/b12-11+/t19-/m0/s1