N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-6-keto-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]pyridazine-3-carboxamide Formula: C24H28N5O5S+ MolecularWeight: 498.57462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O5S/c1-27-12-14-28(15-13-27)35(32,33)19-8-10-22(34-2)21(16-19)25-24(31)20-9-11-23(30)29(26-20)17-18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3,(H,25,31)/p+1