1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-methyl-2-phenyl-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-methyl-2-phenyl-propan-1-one Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-20(2,18-10-6-5-7-11-18)19(24)21-14-16-23(17-15-21)27(25,26)22-12-8-3-4-9-13-22/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3