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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,3-dihydrobenzofuran-5-sulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2,3-dihydrobenzofuran-5-sulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]coumaran-5-sulfonamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNS(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNS(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H21N3O3S/c1-14-19(15(2)23(22-14)17-6-4-3-5-7-17)13-21-27(24,25)18-8-9-20-16(12-18)10-11-26-20/h3-9,12,21H,10-11,13H2,1-2H3