(2R)-2-(1-methylpyrrol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-azepane

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-azepane Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-azepane CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazepane Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-azepane Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCCC[C@@H]2C3=CC=CN3C

InChI

InChI=1S/C17H26N4O2S/c1-13-17(14(2)20(4)18-13)24(22,23)21-12-7-5-6-9-16(21)15-10-8-11-19(15)3/h8,10-11,16H,5-7,9,12H2,1-4H3/t16-/m1/s1