tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-[(hydroxyamino)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(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)N2CCCN(CC2C(=O)NO)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)NO)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O7S/c1-5-6-14-30-16-8-10-17(11-9-16)32(28,29)24-13-7-12-23(15-18(24)19(25)22-27)20(26)31-21(2,3)4/h8-11,18,27H,7,12-15H2,1-4H3,(H,22,25)