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

Systemtic Name: (3S)-3-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]sulfolane Formula: C19H28N4O6S2 MolecularWeight: 472.57882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4CCS(=O)(=O)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)[C@H]4CCS(=O)(=O)C4)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O6S2/c24-23(25)19-14-17(31(28,29)22-7-2-1-3-8-22)4-5-18(19)21-11-9-20(10-12-21)16-6-13-30(26,27)15-16/h4-5,14,16H,1-3,6-13,15H2/t16-/m0/s1