(4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methylsulfinyloxy-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate

Systemtic Name: (4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methylsulfinyloxy-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate Openeye Name: (4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methylsulfinyloxy-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate CAS Name: 4-[4-[[[(5-cyano-3-methylsulfinyloxy-2-pyrazinyl)hydrazo]-oxomethyl]amino]butoxy]benzenesulfinic acid (4-hydroxyphenyl) ester IUPAC Name: (4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methylsulfinyloxypyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate Traditional Name: 4-[4-[[(5-cyano-3-methylsulfinyloxy-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinic acid (4-hydroxyphenyl) ester Formula: C23H24N6O7S2 MolecularWeight: 560.60266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)OC1=NC(=CN=C1NNC(=O)NCCCCOC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)O)C#N

Isomeric SMILES

CS(=O)OC1=NC(=CN=C1NNC(=O)NCCCCOC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)O)C#N

InChI

InChI=1S/C23H24N6O7S2/c1-37(32)36-22-21(26-15-16(14-24)27-22)28-29-23(31)25-12-2-3-13-34-18-8-10-20(11-9-18)38(33)35-19-6-4-17(30)5-7-19/h4-11,15,30H,2-3,12-13H2,1H3,(H,26,28)(H2,25,29,31)