(3S)-3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide

Systemtic Name: (3S)-3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]sulfolane Formula: C17H27N4O5S2+ MolecularWeight: 431.55008

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C17H26N4O5S2/c22-27(23)12-3-15(14-27)19-4-6-20(7-5-19)17-2-1-16(13-18-17)28(24,25)21-8-10-26-11-9-21/h1-2,13,15H,3-12,14H2/p+1/t15-/m0/s1