N-[1-[[(E)-5-methylsulfonyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[1-[[(E)-5-methylsulfonyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[2-[[(E)-3-(benzenesulfonyl)-1-(2-methylsulfonylethyl)allyl]amino]-1-benzyl-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-[[(E)-1-(benzenesulfonyl)-5-methylsulfonylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-[[(E)-1-(benzenesulfonyl)-5-methylsulfonylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[1-benzyl-2-[[(E)-3-besyl-1-(2-mesylethyl)allyl]amino]-2-keto-ethyl]morpholine-4-carboxamide Formula: C26H33N3O7S2 MolecularWeight: 563.68612

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C=CS(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)CCC(/C=C/S(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N3CCOCC3

InChI

InChI=1S/C26H33N3O7S2/c1-37(32,33)18-12-22(13-19-38(34,35)23-10-6-3-7-11-23)27-25(30)24(20-21-8-4-2-5-9-21)28-26(31)29-14-16-36-17-15-29/h2-11,13,19,22,24H,12,14-18,20H2,1H3,(H,27,30)(H,28,31)/b19-13+