[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C21H25N3O8S2 MolecularWeight: 511.5685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25N3O8S2/c1-14-3-4-16(13-19(14)34(29,30)24-9-11-31-12-10-24)21(26)32-15(2)20(25)23-17-5-7-18(8-6-17)33(22,27)28/h3-8,13,15H,9-12H2,1-2H3,(H,23,25)(H2,22,27,28)/t15-/m0/s1