4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-N-methyl-benzenesulfonamide

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-N-methyl-benzenesulfonamide Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-N-methyl-benzenesulfonamide CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-N-methyl-benzenesulfonamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O7S2/c1-22-32(26,27)17-5-3-16(4-6-17)21(25)23-9-11-24(12-10-23)33(28,29)18-7-8-19-20(15-18)31-14-2-13-30-19/h3-8,15,22H,2,9-14H2,1H3