2-[[phenethylsulfonyl(piperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid

Systemtic Name: 2-[[phenethylsulfonyl(piperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid Openeye Name: 2-[[phenethylsulfonyl(4-piperidyl)methyl]amino]pyrimidine-4-carboxylic acid CAS Name: 2-[[phenethylsulfonyl(4-piperidinyl)methyl]amino]-4-pyrimidinecarboxylic acid IUPAC Name: 2-[[phenethylsulfonyl(piperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid Traditional Name: 2-[[phenethylsulfonyl(4-piperidyl)methyl]amino]pyrimidine-4-carboxylic acid Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(NC2=NC=CC(=N2)C(=O)O)S(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CNCCC1C(NC2=NC=CC(=N2)C(=O)O)S(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S/c24-18(25)16-8-12-21-19(22-16)23-17(15-6-10-20-11-7-15)28(26,27)13-9-14-4-2-1-3-5-14/h1-5,8,12,15,17,20H,6-7,9-11,13H2,(H,24,25)(H,21,22,23)