2-[1-(2-methylpentyl)-4-[3-(methylsulfonylamino)phenyl]piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[1-(2-methylpentyl)-4-[3-(methylsulfonylamino)phenyl]piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[3-(methanesulfonamido)phenyl]-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-[3-(methanesulfonamido)phenyl]-1-(2-methylpentyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-[3-(methanesulfonamido)phenyl]-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[3-(methanesulfonamido)phenyl]-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1CCC(CC1)(C2=CC(=CC=C2)NS(=O)(=O)C)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCCC(C)CN1CCC(CC1)(C2=CC(=CC=C2)NS(=O)(=O)C)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C23H32N4O4S/c1-4-6-17(2)16-27-11-9-23(10-12-27,22-24-14-18(15-25-22)21(28)29)19-7-5-8-20(13-19)26-32(3,30)31/h5,7-8,13-15,17,26H,4,6,9-12,16H2,1-3H3,(H,28,29)