3,3-dimethyl-1-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-methyl-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]sulfonyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]butan-2-one Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CS(=O)(=O)C1=NN=C(N1C)C2CCCN2

Isomeric SMILES

CC(C)(C)C(=O)CS(=O)(=O)C1=NN=C(N1C)C2CCCN2

InChI

InChI=1S/C13H22N4O3S/c1-13(2,3)10(18)8-21(19,20)12-16-15-11(17(12)4)9-6-5-7-14-9/h9,14H,5-8H2,1-4H3