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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-32-24-9-5-4-8-23(24)26-16-18-27(19-17-26)25(29)20-33-21-10-12-22(13-11-21)34(30,31)28-14-6-2-3-7-15-28/h4-5,8-13H,2-3,6-7,14-20H2,1H3