N-(2-ethyl-5-quinoxalin-2-yl-phenyl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(2-ethyl-5-quinoxalin-2-yl-phenyl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(2-ethyl-5-quinoxalin-2-yl-phenyl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-[2-ethyl-5-(2-quinoxalinyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(2-ethyl-5-quinoxalin-2-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(2-ethyl-5-quinoxalin-2-yl-phenyl)-3-tosyl-propionamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C2)NC(=O)CCS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C2)NC(=O)CCS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25N3O3S/c1-3-19-10-11-20(25-17-27-22-6-4-5-7-23(22)28-25)16-24(19)29-26(30)14-15-33(31,32)21-12-8-18(2)9-13-21/h4-13,16-17H,3,14-15H2,1-2H3,(H,29,30)