tert-butyl 4-[2,5-bis(chloranyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[2,5-bis(chloranyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2,5-dichlorophenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(2,5-dichlorophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,5-dichlorophenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(2,5-dichlorophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H22Cl2N2O4S MolecularWeight: 409.32788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O4S/c1-16(2,3)24-15(21)19-7-4-8-20(10-9-19)25(22,23)14-11-12(17)5-6-13(14)18/h5-6,11H,4,7-10H2,1-3H3