N1-[2-(diethylamino)-3-phenyl-propyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[2-(diethylamino)-3-phenyl-propyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[2-(diethylamino)-3-phenyl-propyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[2-(diethylamino)-3-phenylpropyl]-N4,N4-dimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[2-(diethylamino)-3-phenylpropyl]-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-[2-(diethylamino)-3-phenyl-propyl]-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C21H30N4O6S2 MolecularWeight: 498.6161

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC1=CC=CC=C1)CNS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(CC1=CC=CC=C1)CNS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O6S2/c1-5-24(6-2)18(14-17-10-8-7-9-11-17)16-22-32(28,29)21-13-12-19(15-20(21)25(26)27)33(30,31)23(3)4/h7-13,15,18,22H,5-6,14,16H2,1-4H3