4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-oxidanyl-1,4-diazepane-5-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-oxidanyl-1,4-diazepane-5-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-1,4-diazepane-5-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-hydroxy-1,4-diazepane-5-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-N-hydroxy-1,4-diazepane-5-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-1,4-diazepane-5-carbohydroxamic acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(N(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NO

Isomeric SMILES

CCN1CCC(N(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NO

InChI

InChI=1S/C18H25N3O5S/c1-3-5-14-26-15-6-8-16(9-7-15)27(24,25)21-13-12-20(4-2)11-10-17(21)18(22)19-23/h6-9,17,23H,4,10-14H2,1-2H3,(H,19,22)