2-[[2-(azepan-1-yl)phenyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[2-(azepan-1-yl)phenyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(azepan-1-yl)anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[2-(1-azepanyl)anilino]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-(azepan-1-yl)anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(azepan-1-yl)anilino]-1-(4-mesylpiperazino)ethanone Formula: C19H30N4O3S MolecularWeight: 394.5315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CNC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CNC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C19H30N4O3S/c1-27(25,26)23-14-12-22(13-15-23)19(24)16-20-17-8-4-5-9-18(17)21-10-6-2-3-7-11-21/h4-5,8-9,20H,2-3,6-7,10-16H2,1H3