N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H21ClN2O6S2 MolecularWeight: 472.96284

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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=C3Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3Cl)OCCCO4

InChI

InChI=1S/C19H21ClN2O6S2/c20-16-12-18-19(28-11-3-10-27-18)13-17(16)21-29(23,24)14-4-6-15(7-5-14)30(25,26)22-8-1-2-9-22/h4-7,12-13,21H,1-3,8-11H2