(2R)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)ethanamide

Systemtic Name: (2R)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)ethanamide Openeye Name: (2R)-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)-N-(p-tolylsulfonylmethyl)acetamide CAS Name: (2R)-N-[(4-methylphenyl)sulfonylmethyl]-2-(4-morpholin-4-iumyl)-2-(4-nitrophenyl)acetamide IUPAC Name: (2R)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)acetamide Traditional Name: (2R)-2-morpholin-4-ium-4-yl-2-(4-nitrophenyl)-N-(tosylmethyl)acetamide Formula: C20H24N3O6S+ MolecularWeight: 434.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C20H23N3O6S/c1-15-2-8-18(9-3-15)30(27,28)14-21-20(24)19(22-10-12-29-13-11-22)16-4-6-17(7-5-16)23(25)26/h2-9,19H,10-14H2,1H3,(H,21,24)/p+1/t19-/m1/s1