5-[(3-chloranyl-4-methylsulfonyl-phenyl)-(3-cyclopentylpropanoyl)amino]pyrazine-2-carboxylic acid

Systemtic Name: 5-[(3-chloranyl-4-methylsulfonyl-phenyl)-(3-cyclopentylpropanoyl)amino]pyrazine-2-carboxylic acid Openeye Name: 5-[3-chloro-N-(3-cyclopentylpropanoyl)-4-methylsulfonyl-anilino]pyrazine-2-carboxylic acid CAS Name: 5-(3-chloro-N-(3-cyclopentyl-1-oxopropyl)-4-methylsulfonylanilino)-2-pyrazinecarboxylic acid IUPAC Name: 5-[3-chloro-N-(3-cyclopentylpropanoyl)-4-methylsulfonylanilino]pyrazine-2-carboxylic acid Traditional Name: 5-[3-chloro-N-(3-cyclopentylpropanoyl)-4-mesyl-anilino]pyrazinoic acid Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=NC=C(N=C2)C(=O)O)C(=O)CCC3CCCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=NC=C(N=C2)C(=O)O)C(=O)CCC3CCCC3)Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-30(28,29)17-8-7-14(10-15(17)21)24(18-12-22-16(11-23-18)20(26)27)19(25)9-6-13-4-2-3-5-13/h7-8,10-13H,2-6,9H2,1H3,(H,26,27)