[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 2-azanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 2-azanylpyridine-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)N

InChI

InChI=1S/C19H22N4O5S/c1-14(28-19(25)16-8-5-9-21-17(16)20)18(24)22-10-12-23(13-11-22)29(26,27)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H2,20,21)