N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[4-(2,5-dimethylphenyl)piperazino]quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=C(C=CC(=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=C(C=CC(=C5)C)C

InChI

InChI=1S/C27H29N5O2S/c1-19-9-12-22(13-10-19)35(33,34)30-26-27(29-24-7-5-4-6-23(24)28-26)32-16-14-31(15-17-32)25-18-20(2)8-11-21(25)3/h4-13,18H,14-17H2,1-3H3,(H,28,30)