(3R,5S)-N-[(4-methylphenyl)sulfonylmethyl]-6-oxidanylidene-5-(phenylmethyl)morpholine-3-carboxamide

Systemtic Name: (3R,5S)-N-[(4-methylphenyl)sulfonylmethyl]-6-oxidanylidene-5-(phenylmethyl)morpholine-3-carboxamide Openeye Name: (3R,5S)-5-benzyl-6-oxo-N-(p-tolylsulfonylmethyl)morpholine-3-carboxamide CAS Name: (3R,5S)-N-[(4-methylphenyl)sulfonylmethyl]-6-oxo-5-(phenylmethyl)-3-morpholinecarboxamide IUPAC Name: (3R,5S)-5-benzyl-N-[(4-methylphenyl)sulfonylmethyl]-6-oxomorpholine-3-carboxamide Traditional Name: (3R,5S)-5-benzyl-6-keto-N-(tosylmethyl)morpholine-3-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C2COC(=O)C(N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@H]2COC(=O)[C@@H](N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-14-7-9-16(10-8-14)28(25,26)13-21-19(23)18-12-27-20(24)17(22-18)11-15-5-3-2-4-6-15/h2-10,17-18,22H,11-13H2,1H3,(H,21,23)/t17-,18+/m0/s1