2-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C13H21N3O4S/c1-10-13(11(2)16(14-10)9-12(17)18)21(19,20)15-7-5-3-4-6-8-15/h3-9H2,1-2H3,(H,17,18)