N1-[2-(azepan-1-yl)ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[2-(azepan-1-yl)ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[2-(azepan-1-yl)ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[2-(1-azepanyl)ethyl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[2-(azepan-1-yl)ethyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C18H31N3O4S2 MolecularWeight: 417.58644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCN2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCN2CCCCCC2

InChI

InChI=1S/C18H31N3O4S2/c1-3-21(4-2)27(24,25)18-11-9-17(10-12-18)26(22,23)19-13-16-20-14-7-5-6-8-15-20/h9-12,19H,3-8,13-16H2,1-2H3