4-butan-2-yl-N,N-bis[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N,N-bis[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide Openeye Name: N,N-bis[(1-methylpyrazol-4-yl)methyl]-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N,N-bis[(1-methyl-4-pyrazolyl)methyl]benzenesulfonamide IUPAC Name: 4-butan-2-yl-N,N-bis[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide Traditional Name: N,N-bis[(1-methylpyrazol-4-yl)methyl]-4-sec-butyl-benzenesulfonamide Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CN(N=C2)C)CC3=CN(N=C3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CN(N=C2)C)CC3=CN(N=C3)C

InChI

InChI=1S/C20H27N5O2S/c1-5-16(2)19-6-8-20(9-7-19)28(26,27)25(14-17-10-21-23(3)12-17)15-18-11-22-24(4)13-18/h6-13,16H,5,14-15H2,1-4H3