4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonylpiazthiole Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C19H19N3O4S2/c23-28(24,18-6-1-4-14-19(18)21-27-20-14)22-9-2-5-15(22)13-7-8-16-17(12-13)26-11-3-10-25-16/h1,4,6-8,12,15H,2-3,5,9-11H2/t15-/m0/s1