N-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide Formula: C19H27N5O3S2 MolecularWeight: 437.57938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N5O3S2/c1-15-7-9-16(10-8-15)29(26,27)20-13-17-21-22-19(23(17)2)28-14-18(25)24-11-5-3-4-6-12-24/h7-10,20H,3-6,11-14H2,1-2H3