N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N5O3S2/c1-17-6-11-20(14-21(17)33(30,31)28-12-4-2-3-5-13-28)26-22(29)19-9-7-18(8-10-19)15-32-23-24-16-25-27-23/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,26,29)(H,24,25,27)