N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H23ClN2O6S2/c21-18-12-15(13-19-20(18)29-11-3-10-28-19)14-22-30(24,25)16-4-6-17(7-5-16)31(26,27)23-8-1-2-9-23/h4-7,12-13,22H,1-3,8-11,14H2