azepan-1-yl-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Openeye Name: azepan-1-yl-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone CAS Name: 1-azepanyl-[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Traditional Name: azepan-1-yl-[3-[(4-esylpiperazino)methyl]phenyl]methanone Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-2-27(25,26)23-14-12-21(13-15-23)17-18-8-7-9-19(16-18)20(24)22-10-5-3-4-6-11-22/h7-9,16H,2-6,10-15,17H2,1H3