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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-(p-phenetylsulfonylamino)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C21H21N3O6S/c1-3-29-17-8-10-18(11-9-17)31(27,28)24-16-6-4-15(5-7-16)21(26)30-13-20(25)19(12-22)14(2)23/h4-11,24H,3,13,23H2,1-2H3/b19-14+