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

Systemtic Name: N-[(2S)-1-[[(E,3S)-1-methylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[[(E,1S)-3-methylsulfonyl-1-phenethyl-allyl]amino]-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[(2S)-1-[[(E,3S)-1-methylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[(2S)-1-[[(E,3S)-1-methylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[[(E,1S)-3-mesyl-1-phenethyl-allyl]amino]ethyl]morpholine-4-carboxamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=CC(CCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)/C=C/[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3CCOCC3

InChI

InChI=1S/C26H33N3O5S/c1-35(32,33)19-14-23(13-12-21-8-4-2-5-9-21)27-25(30)24(20-22-10-6-3-7-11-22)28-26(31)29-15-17-34-18-16-29/h2-11,14,19,23-24H,12-13,15-18,20H2,1H3,(H,27,30)(H,28,31)/b19-14+/t23-,24-/m0/s1