3,5-dimethyl-4-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]sulfonyl-isoxazole Formula: C18H25N5O5S2 MolecularWeight: 455.5516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H25N5O5S2/c1-14-18(15(2)28-20-14)30(26,27)23-11-9-21(10-12-23)17-6-5-16(13-19-17)29(24,25)22-7-3-4-8-22/h5-6,13H,3-4,7-12H2,1-2H3