(4-quinoxalin-2-ylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C25H21N3O4S/c29-25(19-6-5-7-21(16-19)33(30,31)28-14-3-4-15-28)32-20-12-10-18(11-13-20)24-17-26-22-8-1-2-9-23(22)27-24/h1-2,5-13,16-17H,3-4,14-15H2