azepan-1-yl-[4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[(4-besylpiperazino)methyl]phenyl]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(26-14-6-1-2-7-15-26)22-12-10-21(11-13-22)20-25-16-18-27(19-17-25)31(29,30)23-8-4-3-5-9-23/h3-5,8-13H,1-2,6-7,14-20H2