N-[2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentyl-benzenesulfonamide

Systemtic Name: N-[2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentyl-benzenesulfonamide Openeye Name: N-[2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentyl-benzenesulfonamide CAS Name: N-[2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide IUPAC Name: N-[2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide Traditional Name: 4-amyl-N-[2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide Formula: C29H31N3O4S MolecularWeight: 517.63914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NN=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NN=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O4S/c1-2-3-5-8-21-11-14-24(15-12-21)37(33,34)30-18-17-25-28(22-9-6-4-7-10-22)31-32-29(25)23-13-16-26-27(19-23)36-20-35-26/h4,6-7,9-16,19,30H,2-3,5,8,17-18,20H2,1H3,(H,31,32)