2-[[(E)-2-methylsulfonylethenyl]amino]-N-[1-(morpholin-4-ylcarbamoylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-butanamide

Systemtic Name: 2-[[(E)-2-methylsulfonylethenyl]amino]-N-[1-(morpholin-4-ylcarbamoylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-butanamide Openeye Name: N-[1-benzyl-2-(morpholinocarbamoylamino)-2-oxo-ethyl]-2-[[(E)-2-methylsulfonylvinyl]amino]-4-phenyl-butanamide CAS Name: 2-[[(E)-2-methylsulfonylethenyl]amino]-N-[1-[[(4-morpholinylamino)-oxomethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide IUPAC Name: 2-[[(E)-2-methylsulfonylethenyl]amino]-N-[1-(morpholin-4-ylcarbamoylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide Traditional Name: N-[1-benzyl-2-keto-2-(morpholinocarbamoylamino)ethyl]-2-[[(E)-2-mesylvinyl]amino]-4-phenyl-butyramide Formula: C27H35N5O6S MolecularWeight: 557.6617

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=CNC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(=O)NN3CCOCC3

Isomeric SMILES

CS(=O)(=O)/C=C/NC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(=O)NN3CCOCC3

InChI

InChI=1S/C27H35N5O6S/c1-39(36,37)19-14-28-23(13-12-21-8-4-2-5-9-21)25(33)29-24(20-22-10-6-3-7-11-22)26(34)30-27(35)31-32-15-17-38-18-16-32/h2-11,14,19,23-24,28H,12-13,15-18,20H2,1H3,(H,29,33)(H2,30,31,34,35)/b19-14+