[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 4-[[(E)-styryl]sulfonylamino]benzoate CAS Name: 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Traditional Name: 4-[[(E)-styryl]sulfonylamino]benzoic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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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)N

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)N

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/b12-11+/t19-/m0/s1