2-[(1-methylpyrazol-4-yl)sulfonylamino]-5-propyl-benzoic acid

Systemtic Name: 2-[(1-methylpyrazol-4-yl)sulfonylamino]-5-propyl-benzoic acid Openeye Name: 2-[(1-methylpyrazol-4-yl)sulfonylamino]-5-propyl-benzoic acid CAS Name: 2-[(1-methyl-4-pyrazolyl)sulfonylamino]-5-propylbenzoic acid IUPAC Name: 2-[(1-methylpyrazol-4-yl)sulfonylamino]-5-propylbenzoic acid Traditional Name: 2-[(1-methylpyrazol-4-yl)sulfonylamino]-5-propyl-benzoic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CN(N=C2)C)C(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CN(N=C2)C)C(=O)O

InChI

InChI=1S/C14H17N3O4S/c1-3-4-10-5-6-13(12(7-10)14(18)19)16-22(20,21)11-8-15-17(2)9-11/h5-9,16H,3-4H2,1-2H3,(H,18,19)