1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azepan-2-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azepan-2-one Openeye Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-(4-besylpiperazino)-2-keto-ethyl]azepan-2-one Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O4S/c22-17-9-5-2-6-10-20(17)15-18(23)19-11-13-21(14-12-19)26(24,25)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2