4-[4-(2,3-diethylquinoxalin-6-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2,3-diethylquinoxalin-6-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2,3-diethyl-6-quinoxalinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazino]sulfonylbenzonitrile Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)N=C1CC

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)N=C1CC

InChI

InChI=1S/C24H25N5O3S/c1-3-20-21(4-2)27-23-15-18(7-10-22(23)26-20)24(30)28-11-13-29(14-12-28)33(31,32)19-8-5-17(16-25)6-9-19/h5-10,15H,3-4,11-14H2,1-2H3