N-(4-but-2-ynoxyphenyl)-7-cyano-N-oxidanyl-2-sulfonyl-heptanamide

Systemtic Name: N-(4-but-2-ynoxyphenyl)-7-cyano-N-oxidanyl-2-sulfonyl-heptanamide Openeye Name: N-(4-but-2-ynoxyphenyl)-7-cyano-N-hydroxy-2-sulfonyl-heptanamide CAS Name: N-(4-but-2-ynoxyphenyl)-7-cyano-N-hydroxy-2-sulfonylheptanamide IUPAC Name: N-(4-but-2-ynoxyphenyl)-7-cyano-N-hydroxy-2-sulfonylheptanamide Traditional Name: N-(4-but-2-ynoxyphenyl)-7-cyano-N-hydroxy-2-sulfonyl-enanthamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)N(C(=O)C(=S(=O)=O)CCCCCC#N)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)N(C(=O)C(=S(=O)=O)CCCCCC#N)O

InChI

InChI=1S/C18H20N2O5S/c1-2-3-14-25-16-11-9-15(10-12-16)20(22)18(21)17(26(23)24)8-6-4-5-7-13-19/h9-12,22H,4-8,14H2,1H3