4-(azepan-1-ylsulfonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]amine Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O3S/c1-17-6-8-18(9-7-17)22-24-21(29-25-22)16-23-19-10-12-20(13-11-19)30(27,28)26-14-4-2-3-5-15-26/h6-13,23H,2-5,14-16H2,1H3