N-(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-keto-4,5-dimethyl-2H-furo[3,4-d]pyridazin-7-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22N5O5S2+ MolecularWeight: 452.52778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C18H21N5O5S2/c1-11-15-12(2)28-18(16(15)17(25)21-20-11)19-13(24)10-22-5-7-23(8-6-22)30(26,27)14-4-3-9-29-14/h3-4,9H,5-8,10H2,1-2H3,(H,19,24)(H,21,25)/p+1