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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-1,4-thiazepane-3-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCSC(C2C(=O)NO)(C)C

InChI

InChI=1S/C18H24N2O5S2/c1-4-5-12-25-14-7-9-15(10-8-14)27(23,24)20-11-6-13-26-18(2,3)16(20)17(21)19-22/h7-10,16,22H,6,11-13H2,1-3H3,(H,19,21)