2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(3-methyl-2-quinoxalinyl)methylthio]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-[(3-methylquinoxalin-2-yl)methylthio]propan-1-one Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC(C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC(C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S2/c1-17-22(25-21-11-7-6-10-20(21)24-17)16-31-18(2)23(28)26-12-14-27(15-13-26)32(29,30)19-8-4-3-5-9-19/h3-11,18H,12-16H2,1-2H3