tert-butyl 4-[(4-methylphenyl)sulfonylcarbamoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylphenyl)sulfonylcarbamoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(p-tolylsulfonylcarbamoyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylphenyl)sulfonylcarbamoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(tosylcarbamoyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H27N3O5S/c1-14-6-8-15(9-7-14)27(24,25)19-16(22)20-10-5-11-21(13-12-20)17(23)26-18(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,19,22)