N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azepane-1-sulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azepane-1-sulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)azepane-1-sulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-azepanesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azepane-1-sulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)azepane-1-sulfonamide Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H24N4O3S/c1-14-16(18-25(23,24)20-12-8-3-4-9-13-20)17(22)21(19(14)2)15-10-6-5-7-11-15/h5-7,10-11,18H,3-4,8-9,12-13H2,1-2H3