4-chloranyl-3-(5-cyclopropyl-4-ethoxycarbonyl-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-chloranyl-3-(5-cyclopropyl-4-ethoxycarbonyl-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-chloro-3-(5-cyclopropyl-4-ethoxycarbonyl-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-chloro-3-(5-cyclopropyl-4-ethoxycarbonyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-chloro-3-(5-cyclopropyl-4-ethoxycarbonylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(4-carbethoxy-5-cyclopropyl-pyrazol-1-yl)-4-chloro-besylic acid Formula: C15H15ClN2O5S MolecularWeight: 370.808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl)C3CC3

InChI

InChI=1S/C15H15ClN2O5S/c1-2-23-15(19)11-8-17-18(14(11)9-3-4-9)13-7-10(24(20,21)22)5-6-12(13)16/h5-9H,2-4H2,1H3,(H,20,21,22)