1-(1-methyl-3-phenyl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(1-methyl-3-phenyl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-(1-methyl-3-phenyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[(1-methyl-3-phenyl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(1-methyl-3-phenylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(1-methyl-3-phenyl-pyrazol-4-yl)sulfonylazepane Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N3O2S/c1-18-13-15(16(17-18)14-9-5-4-6-10-14)22(20,21)19-11-7-2-3-8-12-19/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3