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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-(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=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

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