1-[2-[[3-(furan-2-ylmethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[3-(furan-2-ylmethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[3-(2-furylmethylsulfamoyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[3-(2-furanylmethylsulfamoyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[3-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[3-(2-furfurylsulfamoyl)anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C21H26N2O6S/c24-19(14-21(20(25)26)10-3-1-2-4-11-21)23-16-7-5-9-18(13-16)30(27,28)22-15-17-8-6-12-29-17/h5-9,12-13,22H,1-4,10-11,14-15H2,(H,23,24)(H,25,26)