1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-N3,N4-dimethylpyrrole-3,4-disulfonamide IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-3-N,4-N-dimethylpyrrole-3,4-disulfonamide Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-N,N'-dimethyl-pyrrole-3,4-disulfonamide Formula: C14H24N4O5S2 MolecularWeight: 392.49416

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCCCCC2

Isomeric SMILES

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCCCCC2

InChI

InChI=1S/C14H24N4O5S2/c1-15-24(20,21)12-9-17(10-13(12)25(22,23)16-2)11-14(19)18-7-5-3-4-6-8-18/h9-10,15-16H,3-8,11H2,1-2H3