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

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H26N2O5S2/c28-25(19-5-1-7-21(15-19)34(29,30)26-17-20-6-3-14-33-20)27-11-2-8-22(27)18-9-10-23-24(16-18)32-13-4-12-31-23/h1,3,5-7,9-10,14-16,22,26H,2,4,8,11-13,17H2