tert-butyl 4-[(4-methylsulfonyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylsulfonyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate Openeye Name: tert-butyl 4-[(4-methylsulfonyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate CAS Name: 4-[(4-methylsulfonyl-1H-indazol-5-yl)oxy]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylsulfonyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate Traditional Name: 4-[(4-mesyl-1H-indazol-5-yl)oxy]azepane-1-carboxylic acid tert-butyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)OC2=C(C3=C(C=C2)NN=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)OC2=C(C3=C(C=C2)NN=C3)S(=O)(=O)C

InChI

InChI=1S/C19H27N3O5S/c1-19(2,3)27-18(23)22-10-5-6-13(9-11-22)26-16-8-7-15-14(12-20-21-15)17(16)28(4,24)25/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,20,21)