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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-ethanoyl-N-oxidanyl-1,4-diazepane-2-carboxamide Openeye Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-carbohydroxamic acid CAS Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide IUPAC Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide Traditional Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-carbohydroxamic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-3-4-12-27-15-6-8-16(9-7-15)28(25,26)21-11-5-10-20(14(2)22)13-17(21)18(23)19-24/h6-9,17,24H,5,10-13H2,1-2H3,(H,19,23)