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

Systemtic Name: 4-[1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]ethyl]benzenesulfonamide Openeye Name: 4-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]ethyl]benzenesulfonamide CAS Name: 4-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]ethyl]benzenesulfonamide IUPAC Name: 4-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]ethyl]benzenesulfonamide Traditional Name: 4-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]ethyl]benzenesulfonamide Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H23ClN2O4S/c1-13(15-4-6-16(7-5-15)27(21,23)24)22(2)12-14-10-17(20)19-18(11-14)25-8-3-9-26-19/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H2,21,23,24)