1-[2-[[4-(furan-2-ylmethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[4-(furan-2-ylmethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[4-(2-furylmethylsulfamoyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[4-(2-furanylmethylsulfamoyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[4-(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=C(C=C2)S(=O)(=O)NCC3=CC=CO3)C(=O)O

Isomeric SMILES

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

InChI

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