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

Systemtic Name: 2-azanyl-3-(4-chlorophenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-phenyl-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-phenyl-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-[3-(4-morpholin-4-iumyl)propyl]-6-phenyl-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-phenylpyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-phenyl-pyrrolo[2,3-d]pyridazin-7-one Formula: C25H27ClN5O4S+ MolecularWeight: 529.03098

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C3=C(C=NN(C3=O)C4=CC=CC=C4)C(=C2N)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1COCC[NH+]1CCCN2C3=C(C=NN(C3=O)C4=CC=CC=C4)C(=C2N)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H26ClN5O4S/c26-18-7-9-20(10-8-18)36(33,34)23-21-17-28-31(19-5-2-1-3-6-19)25(32)22(21)30(24(23)27)12-4-11-29-13-15-35-16-14-29/h1-3,5-10,17H,4,11-16,27H2/p+1