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

Systemtic Name: azepan-1-yl-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone Openeye Name: azepan-1-yl-[3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]methanone CAS Name: 1-azepanyl-[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone Traditional Name: azepan-1-yl-[3-[(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=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

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