(1-cyanoindolizin-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-(p-phenetylsulfonylamino)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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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)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C25H21N3O5S/c1-2-32-21-10-12-22(13-11-21)34(30,31)27-20-8-6-18(7-9-20)25(29)33-17-19-16-28-14-4-3-5-24(28)23(19)15-26/h3-14,16,27H,2,17H2,1H3