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

Systemtic Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide CAS Name: 3-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonylbenzenesulfonamide Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H22N2O6S2/c20-28(22,23)15-4-1-5-16(13-15)29(24,25)21-9-2-6-17(21)14-7-8-18-19(12-14)27-11-3-10-26-18/h1,4-5,7-8,12-13,17H,2-3,6,9-11H2,(H2,20,22,23)/t17-/m0/s1