(3-quinoxalin-2-ylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-quinoxalin-2-ylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-quinoxalin-2-ylphenyl) 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [3-(2-quinoxalinyl)phenyl] ester IUPAC Name: (3-quinoxalin-2-ylphenyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (3-quinoxalin-2-ylphenyl) ester Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=CC(=C3)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=CC(=C3)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H22ClN3O4S/c27-22-12-11-20(35(32,33)30-13-4-1-5-14-30)16-21(22)26(31)34-19-8-6-7-18(15-19)25-17-28-23-9-2-3-10-24(23)29-25/h2-3,6-12,15-17H,1,4-5,13-14H2