(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22N2O6S/c1-14-7-8-16(13-17(14)29(25,26)22-9-11-27-12-10-22)20(24)28-18(19(21)23)15-5-3-2-4-6-15/h2-8,13,18H,9-12H2,1H3,(H2,21,23)