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

Systemtic Name: 2-azanyl-1-(2-morpholin-4-ium-4-ylethyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-(2-morpholin-4-ium-4-ylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H22N5O4S+ MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c19-17-16(28(25,26)13-4-2-1-3-5-13)14-12-20-21-18(24)15(14)23(17)7-6-22-8-10-27-11-9-22/h1-5,12H,6-11,19H2,(H,21,24)/p+1