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

Systemtic Name: 2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-[3-(4-morpholin-4-iumyl)propyl]-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-(3-morpholin-4-ium-4-ylpropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C19H24N5O4S+ MolecularWeight: 418.48996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H23N5O4S/c20-18-17(29(26,27)14-5-2-1-3-6-14)15-13-21-22-19(25)16(15)24(18)8-4-7-23-9-11-28-12-10-23/h1-3,5-6,13H,4,7-12,20H2,(H,22,25)/p+1