6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(methylsulfonylamino)pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(methylsulfonylamino)pyridine-3-carboxylic acid Openeye Name: 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(methanesulfonamido)pyridine-3-carboxylic acid CAS Name: 6-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-5-(methanesulfonamido)-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(methanesulfonamido)pyridine-3-carboxylic acid Traditional Name: 6-[4-(3-fluorobenzyl)piperazino]-5-(methanesulfonamido)nicotinic acid Formula: C18H21FN4O4S MolecularWeight: 408.447143

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(N=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)NC1=C(N=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H21FN4O4S/c1-28(26,27)21-16-10-14(18(24)25)11-20-17(16)23-7-5-22(6-8-23)12-13-3-2-4-15(19)9-13/h2-4,9-11,21H,5-8,12H2,1H3,(H,24,25)