pyridin-2-ylmethyl (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: pyridin-2-ylmethyl (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: 2-pyridylmethyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butyric acid 2-pyridylmethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=CC=N2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)19-12-9-10-17(14-19)21(26)24-20(16(3)4)22(27)30-15-18-11-7-8-13-23-18/h7-14,16,20H,5-6,15H2,1-4H3,(H,24,26)/t20-/m0/s1