6-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[3-cyclopentyl-2-(4-mesylphenyl)propanoyl]amino]nicotinic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-29(27,28)17-9-6-15(7-10-17)18(12-14-4-2-3-5-14)20(24)23-19-11-8-16(13-22-19)21(25)26/h6-11,13-14,18H,2-5,12H2,1H3,(H,25,26)(H,22,23,24)