2-azanyl-3-(4-chlorophenyl)sulfonyl-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-3-(4-chlorophenyl)sulfonyl-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-[2-(4-morpholin-4-iumyl)ethyl]-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H21ClN5O4S+ MolecularWeight: 438.90844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O4S/c19-12-1-3-13(4-2-12)29(26,27)16-14-11-21-22-18(25)15(14)24(17(16)20)6-5-23-7-9-28-10-8-23/h1-4,11H,5-10,20H2,(H,22,25)/p+1