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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-(phenylcarbonyl)-1,4-diazepane-2-carboxamide Openeye Name: 4-benzoyl-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-carbohydroxamic acid CAS Name: 4-benzoyl-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide IUPAC Name: 4-benzoyl-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide Traditional Name: 4-benzoyl-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-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)N2CCCN(CC2C(=O)NO)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)NO)C(=O)C3=CC=CC=C3

InChI

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