1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-phenoxy-ethanone Formula: C18H27N3O4S MolecularWeight: 381.48968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O4S/c22-18(16-25-17-8-4-3-5-9-17)19-12-14-21(15-13-19)26(23,24)20-10-6-1-2-7-11-20/h3-5,8-9H,1-2,6-7,10-16H2