(3S)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]thiolane 1,1-dioxide

Systemtic Name: (3S)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-(4-pyrrolidinosulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]sulfolane Formula: C18H28N3O6S3+ MolecularWeight: 478.62642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C18H27N3O6S3/c22-28(23)14-7-16(15-28)19-10-12-21(13-11-19)30(26,27)18-5-3-17(4-6-18)29(24,25)20-8-1-2-9-20/h3-6,16H,1-2,7-15H2/p+1/t16-/m0/s1