4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1,1-bis(oxidanylidene)-1,4-thiazepane-3-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1,1-bis(oxidanylidene)-1,4-thiazepane-3-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,1-dioxo-1,4-thiazepane-3-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,1-dioxo-1,4-thiazepane-3-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,1-dioxo-1,4-thiazepane-3-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,1-diketo-1,4-thiazepane-3-carbohydroxamic acid Formula: C16H20N2O7S2 MolecularWeight: 416.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCS(=O)(=O)CC2C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCS(=O)(=O)CC2C(=O)NO

InChI

InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-5-7-14(8-6-13)27(23,24)18-9-4-11-26(21,22)12-15(18)16(19)17-20/h5-8,15,20H,4,9-12H2,1H3,(H,17,19)