azepan-1-yl-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methanone

Systemtic Name: azepan-1-yl-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methanone Openeye Name: azepan-1-yl-[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]methanone CAS Name: 1-azepanyl-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[3-(4-benzylpiperazino)sulfonylphenyl]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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