4-tert-butyl-N-pentyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-pentyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-tert-butyl-N-pentyl-benzenesulfonamide CAS Name: 4-tert-butyl-N-pentyl-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-tert-butyl-N-pentylbenzenesulfonamide Traditional Name: N-amyl-N-[(1-benzylpyrrol-2-yl)methyl]-4-tert-butyl-benzenesulfonamide Formula: C27H36N2O2S MolecularWeight: 452.65194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H36N2O2S/c1-5-6-10-20-29(32(30,31)26-17-15-24(16-18-26)27(2,3)4)22-25-14-11-19-28(25)21-23-12-8-7-9-13-23/h7-9,11-19H,5-6,10,20-22H2,1-4H3