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(3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one

(3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one

Systemtic Name:(3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one
Openeye Name:(3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one
CAS Name:(3S)-3-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-azepanone
IUPAC Name:(3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one
Traditional Name:(3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one
Formula: C16H23FN3O3S+
MolecularWeight: 356.435523
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H22FN3O3S/c17-13-4-6-14(7-5-13)24(22,23)20-11-9-19(10-12-20)15-3-1-2-8-18-16(15)21/h4-7,15H,1-3,8-12H2,(H,18,21)/p+1/t15-/m0/s1


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