(1-cyanoindolizin-2-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H16N4O6S MolecularWeight: 476.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O6S/c24-13-20-16(14-26-11-4-3-10-22(20)26)15-33-23(28)19-8-1-2-9-21(19)25-34(31,32)18-7-5-6-17(12-18)27(29)30/h1-12,14,25H,15H2