tert-butyl N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]-N-(2-nitrophenyl)sulfonyl-carbamate

Systemtic Name: tert-butyl N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]-N-(2-nitrophenyl)sulfonyl-carbamate Openeye Name: tert-butyl N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]-N-(2-nitrophenyl)sulfonyl-carbamate CAS Name: N-[6-(3-imidazo[1,2-d][1,2,4]thiadiazolylamino)hexyl]-N-(2-nitrophenyl)sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]-N-(2-nitrophenyl)sulfonylcarbamate Traditional Name: N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]-N-(2-nitrophenyl)sulfonyl-carbamic acid tert-butyl ester Formula: C21H28N6O6S2 MolecularWeight: 524.61362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCCNC1=NSC2=NC=CN12)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCCNC1=NSC2=NC=CN12)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O6S2/c1-21(2,3)33-20(28)26(35(31,32)17-11-7-6-10-16(17)27(29)30)14-9-5-4-8-12-22-18-24-34-19-23-13-15-25(18)19/h6-7,10-11,13,15H,4-5,8-9,12,14H2,1-3H3,(H,22,24)