4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(phenylcarbonyl)-1,4-diazepane-5-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(phenylcarbonyl)-1,4-diazepane-5-carboxamide Openeye Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carbohydroxamic acid CAS Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-5-carboxamide IUPAC Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-5-carboxamide Traditional Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carbohydroxamic acid Formula: C23H25N3O6S MolecularWeight: 471.5261

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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)C3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)NO)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O6S/c1-2-3-17-32-19-9-11-20(12-10-19)33(30,31)26-16-15-25(14-13-21(26)22(27)24-29)23(28)18-7-5-4-6-8-18/h4-12,21,29H,13-17H2,1H3,(H,24,27)