3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-N,N-dimethyl-benzenesulfonamide Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21NO4S2/c1-19(2)25(20,21)16-6-3-5-14(11-16)13-24-15-7-8-17-18(12-15)23-10-4-9-22-17/h3,5-8,11-12H,4,9-10,13H2,1-2H3