N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]naphthalene-2-sulfonamide Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)Br

InChI

InChI=1S/C22H20BrN3O2S/c1-15-22(23)16(2)26(24-15)14-17-6-5-9-20(12-17)25-29(27,28)21-11-10-18-7-3-4-8-19(18)13-21/h3-13,25H,14H2,1-2H3