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

Systemtic Name: azepan-1-yl-[3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]methanone Openeye Name: azepan-1-yl-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]methanone CAS Name: 1-azepanyl-[3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]methanone Traditional Name: azepan-1-yl-[3-[(4-besylpiperazino)methyl]phenyl]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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