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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

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