tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5-(oxidanylcarbamoyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5-(oxidanylcarbamoyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5-[(hydroxyamino)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)NO)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)NO)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O7S/c1-5-6-15-30-16-7-9-17(10-8-16)32(28,29)24-14-13-23(20(26)31-21(2,3)4)12-11-18(24)19(25)22-27/h7-10,18,27H,11-15H2,1-4H3,(H,22,25)