2-(butylsulfonylamino)-3-[4-[(4-cyanophenyl)carbonylcarbamoylamino]phenyl]propanoate

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[(4-cyanophenyl)carbonylcarbamoylamino]phenyl]propanoate Openeye Name: 2-(butylsulfonylamino)-3-[4-[(4-cyanobenzoyl)carbamoylamino]phenyl]propanoate CAS Name: 2-(butylsulfonylamino)-3-[4-[[[[(4-cyanophenyl)-oxomethyl]amino]-oxomethyl]amino]phenyl]propanoate IUPAC Name: 2-(butylsulfonylamino)-3-[4-[(4-cyanobenzoyl)carbamoylamino]phenyl]propanoate Traditional Name: 2-(butylsulfonylamino)-3-[4-[(4-cyanobenzoyl)carbamoylamino]phenyl]propionate Formula: C22H23N4O6S- MolecularWeight: 471.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c1-2-3-12-33(31,32)26-19(21(28)29)13-15-6-10-18(11-7-15)24-22(30)25-20(27)17-8-4-16(14-23)5-9-17/h4-11,19,26H,2-3,12-13H2,1H3,(H,28,29)(H2,24,25,27,30)/p-1