[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-isobutoxy-5-methylsulfonyl-phenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-[4-(2-quinoxalinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-isobutoxy-5-mesyl-phenyl)-(4-quinoxalin-2-ylpiperazino)methanone Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C24H28N4O4S/c1-17(2)16-32-22-9-8-18(33(3,30)31)14-19(22)24(29)28-12-10-27(11-13-28)23-15-25-20-6-4-5-7-21(20)26-23/h4-9,14-15,17H,10-13,16H2,1-3H3