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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-methylpropanoyl)-N-oxidanyl-1,4-diazepane-5-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-methylpropanoyl)-1,4-diazepane-5-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-(2-methyl-1-oxopropyl)-1,4-diazepane-5-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-(2-methylpropanoyl)-1,4-diazepane-5-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-isobutyryl-1,4-diazepane-5-carbohydroxamic acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S/c1-4-5-14-29-16-6-8-17(9-7-16)30(27,28)23-13-12-22(20(25)15(2)3)11-10-18(23)19(24)21-26/h6-9,15,18,26H,10-14H2,1-3H3,(H,21,24)