tert-butyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-piazthiol-4-ylsulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H22N4O4S2/c1-16(2,3)24-15(21)19-8-5-9-20(11-10-19)26(22,23)13-7-4-6-12-14(13)18-25-17-12/h4,6-7H,5,8-11H2,1-3H3