N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-1-butanesulfonamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=CC(=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=CC(=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H22BrN3O2S/c1-4-5-9-23(21,22)19-15-8-6-7-14(10-15)11-20-13(3)16(17)12(2)18-20/h6-8,10,19H,4-5,9,11H2,1-3H3