[2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] ester Formula: C17H13FN2O4S2 MolecularWeight: 392.424523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H13FN2O4S2/c18-11-3-6-13(7-4-11)26(22,23)24-12-5-8-14-15(9-12)25-17(19-14)20-16(21)10-1-2-10/h3-10H,1-2H2,(H,19,20,21)