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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-propyl-benzenesulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-propyl-benzenesulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-propylbenzenesulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-propylbenzenesulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-propyl-benzenesulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O2S/c1-4-8-18-11-13-20(14-12-18)27(25,26)22-15-21-16(2)23-24(17(21)3)19-9-6-5-7-10-19/h5-7,9-14,22H,4,8,15H2,1-3H3