2-[6-azanyl-7-(4-chlorophenyl)sulfonyl-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[6-azanyl-7-(4-chlorophenyl)sulfonyl-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethyl-azanium Openeye Name: 2-[6-amino-7-(4-chlorophenyl)sulfonyl-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethyl-ammonium CAS Name: 2-[6-amino-7-(4-chlorophenyl)sulfonyl-2,3-dicyano-5-pyrrolo[2,3-b]pyrazinyl]ethyl-diethylammonium IUPAC Name: 2-[6-amino-7-(4-chlorophenyl)sulfonyl-2,3-dicyanopyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethylazanium Traditional Name: 2-[6-amino-7-(4-chlorophenyl)sulfonyl-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethyl-ammonium Formula: C20H21ClN7O2S+ MolecularWeight: 458.94444

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC[NH+](CC)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H20ClN7O2S/c1-3-27(4-2)9-10-28-19(24)18(31(29,30)14-7-5-13(21)6-8-14)17-20(28)26-16(12-23)15(11-22)25-17/h5-8H,3-4,9-10,24H2,1-2H3/p+1