(3S)-3-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide

Systemtic Name: (3S)-3-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazin-1-ium-1-yl]sulfolane Formula: C18H27N4O6S2+ MolecularWeight: 459.56018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O6S2/c23-22(24)18-13-16(30(27,28)21-6-1-2-7-21)3-4-17(18)20-10-8-19(9-11-20)15-5-12-29(25,26)14-15/h3-4,13,15H,1-2,5-12,14H2/p+1/t15-/m0/s1