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

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

Systemtic Name:(3S)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]azepan-2-one
Openeye Name:(3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]azepan-2-one
CAS Name:(3S)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-2-azepanone
IUPAC Name:(3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]azepan-2-one
Traditional Name:(3S)-3-(4-besylpiperazin-1-ium-1-yl)azepan-2-one
Formula: C16H24N3O3S+
MolecularWeight: 338.44506
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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3


Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH+]2CCN(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)/p+1/t15-/m0/s1


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