tert-butyl 4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-(1-tetrazolyl)phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C16H22N6O4S/c1-16(2,3)26-15(23)20-8-10-21(11-9-20)27(24,25)14-6-4-13(5-7-14)22-12-17-18-19-22/h4-7,12H,8-11H2,1-3H3