(3S)-3-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide

Systemtic Name: (3S)-3-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]sulfolane Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C21H23N5O2S/c27-29(28)13-7-17(15-29)25-9-11-26(12-10-25)21-18-5-1-2-6-19(18)23-20(24-21)16-4-3-8-22-14-16/h1-6,8,14,17H,7,9-13,15H2/p+1/t17-/m0/s1