N-heptan-2-yl-3,5-dimethyl-1-phenyl-pyrazole-4-sulfonamide

Systemtic Name: N-heptan-2-yl-3,5-dimethyl-1-phenyl-pyrazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-(1-methylhexyl)-1-phenyl-pyrazole-4-sulfonamide CAS Name: N-heptan-2-yl-3,5-dimethyl-1-phenyl-4-pyrazolesulfonamide IUPAC Name: N-heptan-2-yl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-(1-methylhexyl)-1-phenyl-pyrazole-4-sulfonamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NS(=O)(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCC(C)NS(=O)(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H27N3O2S/c1-5-6-8-11-14(2)20-24(22,23)18-15(3)19-21(16(18)4)17-12-9-7-10-13-17/h7,9-10,12-14,20H,5-6,8,11H2,1-4H3