N1-(2-cyclopentylsulfanylethyl)-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-(2-cyclopentylsulfanylethyl)-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-(2-cyclopentylsulfanylethyl)-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[2-(cyclopentylthio)ethyl]-N4,N4-dimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-(2-cyclopentylsulfanylethyl)-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-[2-(cyclopentylthio)ethyl]-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C15H23N3O6S3 MolecularWeight: 437.55462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NCCSC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NCCSC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O6S3/c1-17(2)27(23,24)13-7-8-15(14(11-13)18(19)20)26(21,22)16-9-10-25-12-5-3-4-6-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3