N-(2-cyanoethyl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzenesulfonamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c24-10-3-11-25-32(28,29)19-6-1-5-18(15-19)23(27)26-12-2-7-20(26)17-8-9-21-22(16-17)31-14-4-13-30-21/h1,5-6,8-9,15-16,20,25H,2-4,7,11-14H2