azepan-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[(4-tosylpiperazino)methyl]phenyl]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-21-6-12-24(13-7-21)32(30,31)28-18-16-26(17-19-28)20-22-8-10-23(11-9-22)25(29)27-14-4-2-3-5-15-27/h6-13H,2-5,14-20H2,1H3