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

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-morpholinosulfonyl-benzenesulfonamide Formula: C19H21ClN2O7S2 MolecularWeight: 488.96224

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C19H21ClN2O7S2/c20-16-12-18-19(29-9-1-8-28-18)13-17(16)21-30(23,24)14-2-4-15(5-3-14)31(25,26)22-6-10-27-11-7-22/h2-5,12-13,21H,1,6-11H2