3-(4-but-2-ynoxyphenyl)-1-(methylamino)-N-oxidanyl-2-sulfonyl-cyclohexane-1-carboxamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-1-(methylamino)-N-oxidanyl-2-sulfonyl-cyclohexane-1-carboxamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-1-(methylamino)-2-sulfonyl-cyclohexanecarbohydroxamic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-1-(methylamino)-2-sulfonyl-1-cyclohexanecarboxamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-1-(methylamino)-2-sulfonylcyclohexane-1-carboxamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-1-(methylamino)-2-sulfonyl-cyclohexanecarbohydroxamic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2CCCC(C2=S(=O)=O)(C(=O)NO)NC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2CCCC(C2=S(=O)=O)(C(=O)NO)NC

InChI

InChI=1S/C18H22N2O5S/c1-3-4-12-25-14-9-7-13(8-10-14)15-6-5-11-18(19-2,17(21)20-22)16(15)26(23)24/h7-10,15,19,22H,5-6,11-12H2,1-2H3,(H,20,21)