N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-butan-2-yl-benzenesulfonamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-butan-2-yl-benzenesulfonamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-4-sec-butyl-benzenesulfonamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-4-butan-2-ylbenzenesulfonamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-butan-2-ylbenzenesulfonamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-4-sec-butyl-benzenesulfonamide Formula: C18H26BrN3O2S MolecularWeight: 428.38694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C18H26BrN3O2S/c1-5-13(2)16-7-9-17(10-8-16)25(23,24)20-11-6-12-22-15(4)18(19)14(3)21-22/h7-10,13,20H,5-6,11-12H2,1-4H3