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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-propanoyl-1,4-diazepane-5-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propanoyl-1,4-diazepane-5-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-(1-oxopropyl)-1,4-diazepane-5-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-propanoyl-1,4-diazepane-5-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propionyl-1,4-diazepane-5-carbohydroxamic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(N(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NO

Isomeric SMILES

CCC(=O)N1CCC(N(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NO

InChI

InChI=1S/C19H25N3O6S/c1-3-5-14-28-15-6-8-16(9-7-15)29(26,27)22-13-12-21(18(23)4-2)11-10-17(22)19(24)20-25/h6-9,17,25H,4,10-14H2,1-2H3,(H,20,24)