3-(4-but-2-ynoxyphenyl)-2,2-dimethyl-N-oxidanyl-5-sulfonyl-1,4-thiazepane-3-carboxamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-2,2-dimethyl-N-oxidanyl-5-sulfonyl-1,4-thiazepane-3-carboxamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-2,2-dimethyl-5-sulfonyl-1,4-thiazepane-3-carbohydroxamic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-2,2-dimethyl-5-sulfonyl-1,4-thiazepane-3-carboxamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-2,2-dimethyl-5-sulfonyl-1,4-thiazepane-3-carboxamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-2,2-dimethyl-5-sulfonyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(SCCC(=S(=O)=O)N2)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(SCCC(=S(=O)=O)N2)(C)C)C(=O)NO

InChI

InChI=1S/C18H22N2O5S2/c1-4-5-11-25-14-8-6-13(7-9-14)18(16(21)20-22)17(2,3)26-12-10-15(19-18)27(23)24/h6-9,19,22H,10-12H2,1-3H3,(H,20,21)