[(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)OC(=O)C2=CC=NC=C2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)OC(=O)C2=CC=NC=C2)C

InChI

InChI=1S/C20H25N3O5S/c1-5-23(6-2)29(26,27)18-13-17(8-7-14(18)3)22-19(24)15(4)28-20(25)16-9-11-21-12-10-16/h7-13,15H,5-6H2,1-4H3,(H,22,24)/t15-/m0/s1