2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-ethyl-benzoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-ethyl-benzoic acid Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-ethyl-benzoic acid CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonylamino]-5-ethylbenzoic acid IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-5-ethylbenzoic acid Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-ethyl-benzoic acid Formula: C14H16ClN3O4S MolecularWeight: 357.81254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=C(N(N=C2C)C)Cl)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=C(N(N=C2C)C)Cl)C(=O)O

InChI

InChI=1S/C14H16ClN3O4S/c1-4-9-5-6-11(10(7-9)14(19)20)17-23(21,22)12-8(2)16-18(3)13(12)15/h5-7,17H,4H2,1-3H3,(H,19,20)