N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[1-[5-methyl-1-(4-methylphenyl)-4-pyrazolyl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H23N3O4S/c1-14-4-6-17(7-5-14)24-16(3)19(13-22-24)15(2)23-29(25,26)18-8-9-20-21(12-18)28-11-10-27-20/h4-9,12-13,15,23H,10-11H2,1-3H3