3-[4-(phenylsulfonyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]azepan-2-one CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]azepan-2-one Traditional Name: 3-(4-besylpiperazino)azepan-2-one Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H23N3O3S/c20-16-15(8-4-5-9-17-16)18-10-12-19(13-11-18)23(21,22)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,17,20)