N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H22N2O6S2/c22-28(23,20-15-4-9-18-19(14-15)27-13-3-12-26-18)16-5-7-17(8-6-16)29(24,25)21-10-1-2-11-21/h4-9,14,20H,1-3,10-13H2