4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-diethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C18H28ClN3O4S MolecularWeight: 417.95062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H28ClN3O4S/c1-3-21(4-2)27(23,24)22-8-6-20(7-9-22)14-15-12-16(19)18-17(13-15)25-10-5-11-26-18/h12-13H,3-11,14H2,1-2H3