4-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(5-amino-4-ethoxycarbonyl-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(5-amino-4-ethoxycarbonyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(5-amino-4-carbethoxy-pyrazol-1-yl)besylic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c1-2-20-12(16)10-7-14-15(11(10)13)8-3-5-9(6-4-8)21(17,18)19/h3-7H,2,13H2,1H3,(H,17,18,19)