tert-butyl 4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N2O4S/c1-19(2,3)16-8-10-17(11-9-16)27(24,25)22-13-7-12-21(14-15-22)18(23)26-20(4,5)6/h8-11H,7,12-15H2,1-6H3