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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]aniline CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amine Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H24N4O3S2/c1-15-6-7-17(12-18(15)29(25,26)24-9-4-2-3-5-10-24)21-13-19-22-20(23-27-19)16-8-11-28-14-16/h6-8,11-12,14,21H,2-5,9-10,13H2,1H3