N-[4-[4-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]propanamide

Systemtic Name: N-[4-[4-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]propanamide Openeye Name: N-[4-[4-[2-(6-oxo-3-phenyl-pyridazin-1-yl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]propanamide CAS Name: N-[4-[[4-[2-(6-oxo-3-phenyl-1-pyridazinyl)ethyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]propanamide IUPAC Name: N-[4-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]propanamide Traditional Name: N-[4-[4-[2-(6-keto-3-phenyl-pyridazin-1-yl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]propionamide Formula: C25H30N5O4S+ MolecularWeight: 496.6018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O4S/c1-2-24(31)26-21-8-10-22(11-9-21)35(33,34)29-17-14-28(15-18-29)16-19-30-25(32)13-12-23(27-30)20-6-4-3-5-7-20/h3-13H,2,14-19H2,1H3,(H,26,31)/p+1