1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-(4-methylpiperazino)sulfonylpiperazino]propan-1-one Formula: C19H30N4O3S2 MolecularWeight: 426.5965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCN(CC2)C)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCN(CC2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C19H30N4O3S2/c1-17(27-16-18-6-4-3-5-7-18)19(24)21-10-14-23(15-11-21)28(25,26)22-12-8-20(2)9-13-22/h3-7,17H,8-16H2,1-2H3