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

Systemtic Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide Openeye Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide CAS Name: 1-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-N3,N4-dimethylpyrrole-3,4-disulfonamide IUPAC Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-N,4-N-dimethylpyrrole-3,4-disulfonamide Traditional Name: 1-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]-N,N'-dimethyl-pyrrole-3,4-disulfonamide Formula: C18H31N5O5S2 MolecularWeight: 461.59924

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCN(CC2)C3CCCCC3

Isomeric SMILES

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCN(CC2)C3CCCCC3

InChI

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