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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-methylsulfonyl-N-oxidanyl-1,4-diazepane-2-carboxamide Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane-2-carbohydroxamic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-methylsulfonyl-1,4-diazepane-2-carboxamide IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-methylsulfonyl-1,4-diazepane-2-carboxamide Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-mesyl-1,4-diazepane-2-carbohydroxamic acid Formula: C17H23N3O7S2 MolecularWeight: 445.51042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O7S2/c1-3-4-12-27-14-6-8-15(9-7-14)29(25,26)20-11-5-10-19(28(2,23)24)13-16(20)17(21)18-22/h6-9,16,22H,5,10-13H2,1-2H3,(H,18,21)