N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(4-isovalerylpiperazino)quinoxalin-2-yl]benzenesulfonamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c1-17(2)16-21(29)27-12-14-28(15-13-27)23-22(24-19-10-6-7-11-20(19)25-23)26-32(30,31)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,24,26)