2-[4-(3-aminocarbonylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-aminocarbonylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-carbamoylphenyl)-1-(4-fluorophenyl)sulfonyl-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-carbamoylphenyl)-1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-carbamoylphenyl)-1-(4-fluorophenyl)sulfonyl-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C23H21FN4O5S MolecularWeight: 484.500043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4O5S/c24-18-4-6-19(7-5-18)34(32,33)28-10-8-23(9-11-28,17-3-1-2-15(12-17)20(25)29)22-26-13-16(14-27-22)21(30)31/h1-7,12-14H,8-11H2,(H2,25,29)(H,30,31)