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

Systemtic Name: N3,N4-dimethyl-1-[2-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]pyrrole-3,4-disulfonamide Openeye Name: N3,N4-dimethyl-1-[2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethyl]pyrrole-3,4-disulfonamide CAS Name: N3,N4-dimethyl-1-[2-oxo-2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]pyrrole-3,4-disulfonamide IUPAC Name: 3-N,4-N-dimethyl-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]pyrrole-3,4-disulfonamide Traditional Name: 1-[2-keto-2-(4-piperidinopiperidino)ethyl]-N,N'-dimethyl-pyrrole-3,4-disulfonamide Formula: C18H31N5O5S2 MolecularWeight: 461.59924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCC(CC2)N3CCCCC3

Isomeric SMILES

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCC(CC2)N3CCCCC3

InChI

InChI=1S/C18H31N5O5S2/c1-19-29(25,26)16-12-21(13-17(16)30(27,28)20-2)14-18(24)23-10-6-15(7-11-23)22-8-4-3-5-9-22/h12-13,15,19-20H,3-11,14H2,1-2H3