[(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [(1S)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [(1S)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24N2O8S2/c1-15(20(24)16-6-8-18(9-7-16)22-32(2,26)27)31-21(25)17-4-3-5-19(14-17)33(28,29)23-10-12-30-13-11-23/h3-9,14-15,22H,10-13H2,1-2H3/t15-/m0/s1