(3S)-3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3S)-3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S)-3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3S)-3-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3S)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3S)-3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C12H16ClN2O4S2+ MolecularWeight: 351.84944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1COC(=O)[C@H]1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C12H15ClN2O4S2/c13-10-1-2-11(20-10)21(17,18)15-6-4-14(5-7-15)9-3-8-19-12(9)16/h1-2,9H,3-8H2/p+1/t9-/m0/s1