2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]-1-(4-mesylpiperazino)ethanone Formula: C17H28N4O4S2 MolecularWeight: 416.55862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C)CC3CCCO3)C

InChI

InChI=1S/C17H28N4O4S2/c1-13-14(2)21(11-15-5-4-10-25-15)17(18-13)26-12-16(22)19-6-8-20(9-7-19)27(3,23)24/h15H,4-12H2,1-3H3