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

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-4-ethoxy-benzenesulfonamide Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H22BrN3O3S/c1-4-23-14-6-8-15(9-7-14)24(21,22)18-10-5-11-20-13(3)16(17)12(2)19-20/h6-9,18H,4-5,10-11H2,1-3H3