tert-butyl 4-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 3-(hydroxycarbamoyl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 3-[(hydroxyamino)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(hydroxycarbamoyl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 3-(hydroxycarbamoyl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H27N3O7S MolecularWeight: 429.48788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H27N3O7S/c1-18(2,3)28-17(23)20-10-5-11-21(15(12-20)16(22)19-24)29(25,26)14-8-6-13(27-4)7-9-14/h6-9,15,24H,5,10-12H2,1-4H3,(H,19,22)